Basic information
- CAS
578-96-1- Standard SMILES
O=c1c2ccccc2nc2ccccn12- InChIKey
MONJTOUXCWKOFS-UHFFFAOYSA-N- Molecular formula
- C12H8N2O
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.06366288
Overview
structure given in first source
Names & identifiers
- Preferred name
- 11H-Pyrido(2,1-b)quinazolin-11-one
- IUPAC
- pyrido[2,1-b]quinazolin-11-one
- English name
- 11H-pyrido(2,1-b)quinazolin-11-one
- Molecular formula
- C12H8N2O
- Molecular weight
- 196.2
Names & synonyms
11H-pyrido[2,1-b]quinazolin-11-one578-96-111H-Pyrido(2,1-b)quinazolin-11-one11-PQDTXSID50206494RefChem:908028DTXCID50128985pyrido[2,1-b]quinazolin-11-oneOprea1_644487MLS000728886SCHEMBL2427657CHEMBL1502567
Show more names
96. 3-Amino-2-(hexahydro-1H-azepin-1-ylmethyl)benzoic acid
MONJTOUXCWKOFS-UHFFFAOYSA-HMS1666I20HMS2705F06pyrido[2,1-b]quinazolin-10-oneCCG-41580STK773681AKOS005617642NCGC00245900-01
Database identifiers
- CAS
578-96-1- PubChem CID
- 68478
- DTXSID
DTXSID50206494- ChEMBL
CHEMBL1502567- Nikkaji
- J379.327C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
LogP2.01
Solubility28.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 211 · 211-212 ºC
- Density
- 1.28 · 1.28
Chemistry & industry
Suppliers3 total
上海恩诺生物科技有限公司+86 (21) 6435-5022
Alchem Pharmtech,Inc.8485655694 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…