2-cyclopropyl-6-methyl-3H-quinazolin-4-one

C12H12N2O — CID 136578643

IUPAC2-cyclopropyl-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(C3CC3)[nH]c(=O)c2c1
InChIInChI=1S/C12H12N2O/c1-7-2-5-10-9(6-7)12(15)14-11(13-10)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14,15)
InChIKeyNMYZHJBAGWUSBB-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.11
Rot. Bonds1

About 2-cyclopropyl-6-methyl-3H-quinazolin-4-one

2-cyclopropyl-6-methyl-3H-quinazolin-4-one (PubChem CID 136578643) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-3H-quinazolin-4-one
PubChem CID136578643
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-cyclopropyl-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(C3CC3)[nH]c(=O)c2c1
InChIInChI=1S/C12H12N2O/c1-7-2-5-10-9(6-7)12(15)14-11(13-10)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14,15)
InChIKeyNMYZHJBAGWUSBB-UHFFFAOYSA-N
XLogP2.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
CID 137298702
2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
CID 137190164
2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136617658
6-methyl-2-[1-[(3-thiophen-3-ylphenyl)methyl]piperidin-4-yl]-3H-quinazolin-4-one
CID 137298684
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
6-bromo-2-[(1S)-3,3-dimethylcyclopentyl]-3H-quinazolin-4-one
CID 137100940
2-cyclopropyl-8-methyl-3H-quinazolin-4-one
CID 137201441
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098064
6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
CID 135853225
2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79416999

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-cyclopropyl-6-methyl-3H-quinazolin-4-one (CID 136578643) is 2-cyclopropyl-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-cyclopropyl-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc(C3CC3)[nH]c(=O)c2c1.
What is the InChIKey of 2-cyclopropyl-6-methyl-3H-quinazolin-4-one?
The InChIKey is NMYZHJBAGWUSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-7-2-5-10-9(6-7)12(15)14-11(13-10)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-6-methyl-3H-quinazolin-4-one?
2-cyclopropyl-6-methyl-3H-quinazolin-4-one has a molecular weight of 200.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 136578643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).