5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one

C19H25ClN2O — CID 123674894

IUPAC5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one
SMILESCC(C)CC(C)c1nc2cccc(Cl)c2c(=O)n1C1CCCC1
InChIInChI=1S/C19H25ClN2O/c1-12(2)11-13(3)18-21-16-10-6-9-15(20)17(16)19(23)22(18)14-7-4-5-8-14/h6,9-10,12-14H,4-5,7-8,11H2,1-3H3
InChIKeyBQVXUEMNXPAYEE-UHFFFAOYSA-N
MW332.88 g/mol
LogP5.31
Rot. Bonds4

About 5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one

5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one (PubChem CID 123674894) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one
PubChem CID123674894
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one
SMILESCC(C)CC(C)c1nc2cccc(Cl)c2c(=O)n1C1CCCC1
InChIInChI=1S/C19H25ClN2O/c1-12(2)11-13(3)18-21-16-10-6-9-15(20)17(16)19(23)22(18)14-7-4-5-8-14/h6,9-10,12-14H,4-5,7-8,11H2,1-3H3
InChIKeyBQVXUEMNXPAYEE-UHFFFAOYSA-N
XLogP5.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.88
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]quinazolin-4-one
CID 118572366
2-[(1S)-1-amino-3-methylbutyl]-5-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90235635
[(1S)-1-[5-chloro-4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]ethyl]carbamic acid
CID 118573836
7-chloro-2-(1-chloroethyl)-1-cycloheptylbenzimidazole
CID 43667424
2-[(1S)-1-[(6-amino-5-ethynylpyrimidin-4-yl)amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one
CID 118522306
2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one
CID 139327885
[(1S)-1-[5-chloro-4-oxo-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]quinazolin-2-yl]ethyl]carbamic acid
CID 118572369
[(1S)-1-[5-chloro-3-[3-fluoro-3-(hydroxymethyl)cyclobutyl]-4-oxoquinazolin-2-yl]ethyl] carbamate
CID 175391526
3-(azepan-4-yl)-5-chloro-2-[(1S)-1-(imidazo[2,1-f][1,2,4]triazin-4-ylamino)ethyl]quinazolin-4-one
CID 118572185
8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 11276421
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
tert-butyl 4-[5-chloro-2-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-4-oxoquinazolin-3-yl]azepane-1-carboxylate
CID 118572237

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one?
The IUPAC name of 5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one (CID 123674894) is 5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one?
The canonical SMILES for 5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one is CC(C)CC(C)c1nc2cccc(Cl)c2c(=O)n1C1CCCC1.
What is the InChIKey of 5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one?
The InChIKey is BQVXUEMNXPAYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-12(2)11-13(3)18-21-16-10-6-9-15(20)17(16)19(23)22(18)14-7-4-5-8-14/h6,9-10,12-14H,4-5,7-8,11H2,1-3H3.
What are the key properties of 5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one?
5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one has a molecular weight of 332.88 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one is sourced from PubChem (CID 123674894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).