U-29409
Basic information
- CAS
31785-60-1- Standard SMILES
O=C1NC(c2cccc3ccccc23)Nc2ccccc21- InChIKey
XKEIBCWTOUEGSH-UHFFFAOYSA-N- Molecular formula
- C18H14N2O
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.11061307
Names & identifiers
- Preferred name
- U-29409
- IUPAC
- 2-naphthalen-1-yl-2,3-dihydro-1H-quinazolin-4-one
- English name
- U-27409
- Molecular weight
- 0
Names & synonyms
31785-60-14(1H)-Quinazolinone, 2,3-dihydro-2-(1-naphthyl)-U 29409U-29,409U-294092-(naphthalen-1-yl)-2,3-dihydroquinazolin-4(1h)-oneDHNQNSC-1456692-Naphthalen-1-yl-2,3-dihydro-1H-quinazolin-4-oneNSC145669MLS0027020222,3-Dihydro-2-(1-naphthalenyl)-4(1H)-quinazolinone
Show more names
U-274092,3-Dihydro-2-(1-naphtyl)quinazolin-4(1H)-one
2-(naphthalen-1-yl)-1,2,3,4-tetrahydroquinazolin-4-oneNCIMech_000201Oprea1_707982CHEMBL191611KDU2S9973Dorb1700733SCHEMBL7686343SCHEMBL31237630
Database identifiers
- CAS
31785-60-1- PubChem CID
- 286701
- DTXSID
DTXSID90875007- ChEMBL
CHEMBL191611- UNII
- KDU2S9973D
- Nikkaji
- J54.274A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Experimental & physicochemical properties
LogP2.96
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].
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Compound notes
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