8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one

C14H12N2O2 — CID 137190173

IUPAC8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one
SMILESCc1ccoc1-c1nc2c(C)cccc2c(=O)[nH]1
InChIInChI=1S/C14H12N2O2/c1-8-4-3-5-10-11(8)15-13(16-14(10)17)12-9(2)6-7-18-12/h3-7H,1-2H3,(H,15,16,17)
InChIKeyYIJSFZMAUKZRMN-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.80
Rot. Bonds1

About 8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one

8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one (PubChem CID 137190173) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one
PubChem CID137190173
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one
SMILESCc1ccoc1-c1nc2c(C)cccc2c(=O)[nH]1
InChIInChI=1S/C14H12N2O2/c1-8-4-3-5-10-11(8)15-13(16-14(10)17)12-9(2)6-7-18-12/h3-7H,1-2H3,(H,15,16,17)
InChIKeyYIJSFZMAUKZRMN-UHFFFAOYSA-N
XLogP2.80
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
2-(3-methylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63030741
5-iodo-2-(3-methylfuran-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136741726
2-cyclopropyl-8-methyl-3H-quinazolin-4-one
CID 137201441
8-methyl-2-pentyl-3H-quinazolin-4-one
CID 137279746
(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate
CID 135815729
5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136741734
2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one
CID 145099400
2-[3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methyl-3H-quinazolin-4-one
CID 137108961
8-methyl-2-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 137108978
2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one
CID 137108909
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-8-methyl-3H-quinazolin-4-one
CID 136952861

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one (CID 137190173) is 8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one is Cc1ccoc1-c1nc2c(C)cccc2c(=O)[nH]1.
What is the InChIKey of 8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one?
The InChIKey is YIJSFZMAUKZRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-4-3-5-10-11(8)15-13(16-14(10)17)12-9(2)6-7-18-12/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one?
8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one has a molecular weight of 240.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 137190173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).