1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one

C22H23ClN2O — CID 158836321

IUPAC1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one
SMILESCCCCCc1nc(=O)n(-c2ccccc2Cl)c2cc(C3CC3)ccc12
InChIInChI=1S/C22H23ClN2O/c1-2-3-4-8-19-17-13-12-16(15-10-11-15)14-21(17)25(22(26)24-19)20-9-6-5-7-18(20)23/h5-7,9,12-15H,2-4,8,10-11H2,1H3
InChIKeyIXRKZKQOUFAAJC-UHFFFAOYSA-N
MW366.89 g/mol
LogP5.65
Rot. Bonds6

About 1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one

1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one (PubChem CID 158836321) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one
PubChem CID158836321
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one
SMILESCCCCCc1nc(=O)n(-c2ccccc2Cl)c2cc(C3CC3)ccc12
InChIInChI=1S/C22H23ClN2O/c1-2-3-4-8-19-17-13-12-16(15-10-11-15)14-21(17)25(22(26)24-19)20-9-6-5-7-18(20)23/h5-7,9,12-15H,2-4,8,10-11H2,1H3
InChIKeyIXRKZKQOUFAAJC-UHFFFAOYSA-N
XLogP5.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-2-aminobut-3-ynyl]-1-(2-chlorophenyl)-7-cyclopropylquinazolin-2-one
CID 175429137
6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one
CID 157209085
1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one
CID 157288859
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(1-fluoroethyl)quinazolin-2-one;hydrofluoride
CID 160669496
7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one
CID 151975239
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one
CID 148724212
4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one
CID 150905726
7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
CID 159860748
6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one
CID 150054326
7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one
CID 151034532
2-butyl-6-cyclopropyl-1-ethylbenzimidazole
CID 170414968
4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one
CID 147238184

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one (CID 158836321) is 1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one is CCCCCc1nc(=O)n(-c2ccccc2Cl)c2cc(C3CC3)ccc12.
What is the InChIKey of 1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one?
The InChIKey is IXRKZKQOUFAAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-2-3-4-8-19-17-13-12-16(15-10-11-15)14-21(17)25(22(26)24-19)20-9-6-5-7-18(20)23/h5-7,9,12-15H,2-4,8,10-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one?
1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one has a molecular weight of 366.89 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one is sourced from PubChem (CID 158836321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).