8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one

C16H14N2O2 — CID 135566972

IUPAC8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(-c3ccc(C)cc3)nc12
InChIInChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)15-17-14-12(16(19)18-15)4-3-5-13(14)20-2/h3-9H,1-2H3,(H,17,18,19)
InChIKeyJKCKQJATUNERKN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.91
Rot. Bonds2

About 8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one

8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one (PubChem CID 135566972) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one
PubChem CID135566972
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(-c3ccc(C)cc3)nc12
InChIInChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)15-17-14-12(16(19)18-15)4-3-5-13(14)20-2/h3-9H,1-2H3,(H,17,18,19)
InChIKeyJKCKQJATUNERKN-UHFFFAOYSA-N
XLogP2.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
8-Methoxy-2-phenyl-4(3H)-quinazolinone
CID 135439437
8-Hydroxy-2-phenyl-3H-quinazolin-4-one
CID 135528341
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
8-Methoxy-2-methyl-3H-quinazolin-4-one
CID 135411146
8-Methoxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one
CID 135417274
8-Hydroxy-2-[4-(Trifluoromethyl)phenyl]-3,4-Dihydroquinazolin-4-One
CID 135417291
2-(4-Amino-phenyl)-8-hydroxy-3H-quinazolin-4-one
CID 135471356
8-Methoxy-2-[4-(Trifluoromethyl)phenyl]-3,4-Dihydroquinazolin-4-One
CID 135513721
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
8-Hydroxy-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One
CID 135566973

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one (CID 135566972) is 8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one is COc1cccc2c(=O)[nH]c(-c3ccc(C)cc3)nc12.
What is the InChIKey of 8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is JKCKQJATUNERKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)15-17-14-12(16(19)18-15)4-3-5-13(14)20-2/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one?
8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135566972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).