3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one

C24H29ClN4O — CID 132547277

IUPAC3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H29ClN4O/c1-19-26-23-11-4-3-10-22(23)24(30)29(19)13-6-2-5-12-27-14-16-28(17-15-27)21-9-7-8-20(25)18-21/h3-4,7-11,18H,2,5-6,12-17H2,1H3
InChIKeyIUHLOLZVDWRWFT-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.35
Rot. Bonds7

About 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one

3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one (PubChem CID 132547277) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one
PubChem CID132547277
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H29ClN4O/c1-19-26-23-11-4-3-10-22(23)24(30)29(19)13-6-2-5-12-27-14-16-28(17-15-27)21-9-7-8-20(25)18-21/h3-4,7-11,18H,2,5-6,12-17H2,1H3
InChIKeyIUHLOLZVDWRWFT-UHFFFAOYSA-N
XLogP4.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Mecloqualone
CID 9567
Ispinesib
CID 6851740
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
4(3H)-Quinazolinone, 3-(2,4-dichlorophenyl)-2-methyl-
CID 63203
5-chloro-2-(3-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)propyl)-4(3H)-quinazolinone
CID 135444661
N-(3-Aminopropyl)-N-{(1R)-1-[7-chloro-4-oxo-3-(phenylmethyl)-3,4-dihydro-2-quinazolinyl]-2-methylpropyl}-3-fluoro-4-methylbenzamide
CID 16034829
2-[(E)-2-(4-Chloro-phenyl)-vinyl]-3-methyl-3H-quinazolin-4-one
CID 5763301
4(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-methyl-
CID 63201
5-Chloro-3-(4-chloro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone
CID 63386
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
Benzamide, 4-bromo-N-(1-(7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl)propyl)-N-(3-(dimethylamino)propyl)-
CID 11261882

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one (CID 132547277) is 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one?
The InChIKey is IUHLOLZVDWRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-19-26-23-11-4-3-10-22(23)24(30)29(19)13-6-2-5-12-27-14-16-28(17-15-27)21-9-7-8-20(25)18-21/h3-4,7-11,18H,2,5-6,12-17H2,1H3.
What are the key properties of 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one?
3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one has a molecular weight of 424.98 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 132547277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).