2-(2-methylpentyl)-3H-quinazolin-4-one

C14H18N2O — CID 136798516

IUPAC2-(2-methylpentyl)-3H-quinazolin-4-one
SMILESCCCC(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H18N2O/c1-3-6-10(2)9-13-15-12-8-5-4-7-11(12)14(17)16-13/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16,17)
InChIKeyQSQOOZFYXCQIQI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.90
Rot. Bonds4

About 2-(2-methylpentyl)-3H-quinazolin-4-one

2-(2-methylpentyl)-3H-quinazolin-4-one (PubChem CID 136798516) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-methylpentyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-methylpentyl)-3H-quinazolin-4-one
PubChem CID136798516
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(2-methylpentyl)-3H-quinazolin-4-one
SMILESCCCC(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H18N2O/c1-3-6-10(2)9-13-15-12-8-5-4-7-11(12)14(17)16-13/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16,17)
InChIKeyQSQOOZFYXCQIQI-UHFFFAOYSA-N
XLogP2.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one
CID 137315643
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136968778
(4-oxo-3H-quinazolin-2-yl)methyl-[(1S)-1-phenylethyl]azanium
CID 135612861
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
(3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135624113
[1-fluoro-2-(4-oxo-3H-quinazolin-2-yl)ethyl] formate
CID 175264938
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
2-(diethoxyphosphorylmethyl)-3H-quinazolin-4-one
CID 167876412
2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 136688103
2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one
CID 137062638

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-methylpentyl)-3H-quinazolin-4-one (CID 136798516) is 2-(2-methylpentyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-methylpentyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-methylpentyl)-3H-quinazolin-4-one is CCCC(C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(2-methylpentyl)-3H-quinazolin-4-one?
The InChIKey is QSQOOZFYXCQIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-6-10(2)9-13-15-12-8-5-4-7-11(12)14(17)16-13/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-methylpentyl)-3H-quinazolin-4-one?
2-(2-methylpentyl)-3H-quinazolin-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136798516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).