Basic information
- CAS
22281-18-1- Standard SMILES
O=c1c2ccccc2c2cc3nc4ccccc4c(=O)n3c3cccc1c23- InChIKey
ZQCQJALTXDGORV-UHFFFAOYSA-N- Molecular formula
- C23H12N2O2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.08987763
Names & identifiers
- Preferred name
- Naphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione
- IUPAC
- 2,10-diazahexacyclo[11.11.1.02,11.04,9.014,19.021,25]pentacosa-1(24),4,6,8,10,12,14,16,18,21(25),22-undecaene-3,20-dione
- English name
- naphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione
- Molecular formula
- C23H12N2O2
- Molecular weight
- 348.35
Names & synonyms
22281-18-1Naphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dioneDisperse Yellow 77NM6Q3Q5AGTNaphtho(1',2',3':4,5)quino(2,1-b)quinazoline-5,10-dioneEINECS 244-890-0DTXSID206677514,14a-Dihydro-3,14-dioxodibenzo(c,qr)-9,14a-diaza-3H-naphthacene2,10-DIAZAHEXACYCLO(11.11.1.0(2,11).0(4,9).0(14,19).0(21,25))PENTACOSA-1(24),4(9),5,7,10,12,14(19),15,17,21(25),22-UNDECAENE-3,20-DIONERefChem:164664DTXCID8036655244-890-0
Show more names
C.I.Disperse Yellow 77
F0020-1963naphtho[1',2',3':4,5]quinolino[2,1-b]quinazoline-5,10-dioneUNII-NM6Q3Q5AGTOprea1_062633Oprea1_476574SCHEMBL7068240ZQCQJALTXDGORV-UHFFFAOYSA-NSMSSF-0059148
Database identifiers
- CAS
22281-18-1- PubChem CID
- 89649
- DTXSID
DTXSID2066775- UNII
- NM6Q3Q5AGT
- EC Number
- 244-890-0
- Nikkaji
- J285.472D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 753
Physicochemical properties
- Boiling point
- 613.6 · 613.6±65.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- -1.05 · -1.05±0.20(Predicted)
- FDA UNII
- 6 Q3Q5AGT · NM6Q3Q5AGT
- EPA Substance Registry System
- 1 · Naphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione (22281-18-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione: INACTIVE
Preparation methods
Preparation1-Aminoanthracene-9,10-dione acylation with acetic anhydride, and 2-Aminobenzoic acid and Acetic anhydride condensation, and then closed.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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