2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one

C17H21ClN2O — CID 63281843

IUPAC2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one
SMILESCCC(Cl)c1nc2ccccc2c(=O)n1C1CCCC1C
InChIInChI=1S/C17H21ClN2O/c1-3-13(18)16-19-14-9-5-4-8-12(14)17(21)20(16)15-10-6-7-11(15)2/h4-5,8-9,11,13,15H,3,6-7,10H2,1-2H3
InChIKeyHWWLVZTUCQMPBH-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.45
Rot. Bonds3

About 2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one

2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one (PubChem CID 63281843) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one
PubChem CID63281843
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one
SMILESCCC(Cl)c1nc2ccccc2c(=O)n1C1CCCC1C
InChIInChI=1S/C17H21ClN2O/c1-3-13(18)16-19-14-9-5-4-8-12(14)17(21)20(16)15-10-6-7-11(15)2/h4-5,8-9,11,13,15H,3,6-7,10H2,1-2H3
InChIKeyHWWLVZTUCQMPBH-UHFFFAOYSA-N
XLogP4.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
CID 62409793
2-(1-chloropropyl)-3-[1-(dimethylamino)propan-2-yl]quinazolin-4-one
CID 82940755
2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 11911140
2-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 11911147
4-[3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylbutanenitrile
CID 11911143
4-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylbutanenitrile
CID 11911144
2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile
CID 11911194
2-(1-chloroethyl)-3-(oxan-3-yl)quinazolin-4-one
CID 63361358
2-(chloromethyl)-3-(1,3-dimethylpiperidin-4-yl)quinazolin-4-one
CID 114505858
2-[3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 11892358
ethyl 2-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylacetate
CID 11911189
3-[9-(7-bicyclo[4.2.2]decanyl)-6-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-2-[ethoxy(hydroxy)methyl]quinazolin-4-one
CID 123432047

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one?
The IUPAC name of 2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one (CID 63281843) is 2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one.
What is the SMILES notation for 2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one?
The canonical SMILES for 2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one is CCC(Cl)c1nc2ccccc2c(=O)n1C1CCCC1C.
What is the InChIKey of 2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one?
The InChIKey is HWWLVZTUCQMPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-13(18)16-19-14-9-5-4-8-12(14)17(21)20(16)15-10-6-7-11(15)2/h4-5,8-9,11,13,15H,3,6-7,10H2,1-2H3.
What are the key properties of 2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one?
2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one has a molecular weight of 304.82 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one is sourced from PubChem (CID 63281843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).