Basic information
- CAS
31785-60-1- Standard SMILES
O=C1NCN(c2cccc3ccccc23)c2ccccc21- InChIKey
QHWRODJEOKJAOR-UHFFFAOYSA-N- Molecular formula
- C18H14N2O
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.11061307
Overview
used in drug therapy of arthritis and encephalomyelitis; antifertility agent in rats
Names & identifiers
- Preferred name
- U-29409
- IUPAC
- 1-naphthalen-1-yl-2,3-dihydroquinazolin-4-one
- English name
- U-27409
- Molecular weight
- 0
Names & synonyms
2,3-Dihydro-(1-naphthyl)-4-(1H)-quinazolinoneRefChem:192841BRN 06674535-24-05-00019 (Beilstein Handbook Reference)DHNQU-29409U-27409NSC-1456692,3-Dihydro-2-(1-naphtyl)quinazolin-4(1H)-one
Database identifiers
- CAS
31785-60-1- PubChem CID
- 63227
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 417.3 °C · 417.3°C (rough estimate)
- Density
- 1.153 · 1.1530 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
Chemistry & industry
Applications
UsesNSC 145669 is an inhibitor for tubulin polymerization with IC50 of 1.7 μM. NSC 145669 exhibits cytotoxicity in cancer cells and reveals antileukemic efficacy in mice[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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