2-naphthalen-1-yl-3H-quinazolin-4-one

C18H12N2O — CID 135437423

IUPAC2-naphthalen-1-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C18H12N2O/c21-18-15-9-3-4-11-16(15)19-17(20-18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,19,20,21)
InChIKeyPWLHUQRFCZDOQK-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.74
Rot. Bonds1

About 2-naphthalen-1-yl-3H-quinazolin-4-one

2-naphthalen-1-yl-3H-quinazolin-4-one (PubChem CID 135437423) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-naphthalen-1-yl-3H-quinazolin-4-one
PubChem CID135437423
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name2-naphthalen-1-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C18H12N2O/c21-18-15-9-3-4-11-16(15)19-17(20-18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,19,20,21)
InChIKeyPWLHUQRFCZDOQK-UHFFFAOYSA-N
XLogP3.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(1H-indol-4-yl)-3H-quinazolin-4-one
CID 168550804
2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
CID 168511648
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one
CID 168552944
2-(2-cyclopropylphenyl)-3H-quinazolin-4-one
CID 168551670
2-amino-3-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 162513899
2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168552065
2-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-3H-quinazolin-4-one
CID 168553277
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
CID 168553065
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-3H-quinazolin-4-one?
The IUPAC name of 2-naphthalen-1-yl-3H-quinazolin-4-one (CID 135437423) is 2-naphthalen-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-naphthalen-1-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-naphthalen-1-yl-3H-quinazolin-4-one is O=c1[nH]c(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-3H-quinazolin-4-one?
The InChIKey is PWLHUQRFCZDOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c21-18-15-9-3-4-11-16(15)19-17(20-18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,19,20,21).
What are the key properties of 2-naphthalen-1-yl-3H-quinazolin-4-one?
2-naphthalen-1-yl-3H-quinazolin-4-one has a molecular weight of 272.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135437423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).