6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one

C27H25ClN4O2 — CID 46346805

IUPAC6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
SMILESCc1ccc(N2CCN(C(=O)Cn3c(=O)nc(-c4ccccc4)c4cc(Cl)ccc43)CC2)cc1
InChIInChI=1S/C27H25ClN4O2/c1-19-7-10-22(11-8-19)30-13-15-31(16-14-30)25(33)18-32-24-12-9-21(28)17-23(24)26(29-27(32)34)20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3
InChIKeyXZPQFIRXQFEPJP-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.37
Rot. Bonds4

About 6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one

6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one (PubChem CID 46346805) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one.

Molecular Properties

Compound Name6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
PubChem CID46346805
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC Name6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
SMILESCc1ccc(N2CCN(C(=O)Cn3c(=O)nc(-c4ccccc4)c4cc(Cl)ccc43)CC2)cc1
InChIInChI=1S/C27H25ClN4O2/c1-19-7-10-22(11-8-19)30-13-15-31(16-14-30)25(33)18-32-24-12-9-21(28)17-23(24)26(29-27(32)34)20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3
InChIKeyXZPQFIRXQFEPJP-UHFFFAOYSA-N
XLogP4.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
CID 45030979
2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 20877389
N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46506830
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
CID 46346733
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 3573553
1-[4-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone
CID 118716866
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
CID 56528726
N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346696
5-chloro-3-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 166164206
2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20963097
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-chloro-3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 58778022

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one?
The IUPAC name of 6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one (CID 46346805) is 6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one.
What is the SMILES notation for 6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one?
The canonical SMILES for 6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one is Cc1ccc(N2CCN(C(=O)Cn3c(=O)nc(-c4ccccc4)c4cc(Cl)ccc43)CC2)cc1.
What is the InChIKey of 6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one?
The InChIKey is XZPQFIRXQFEPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c1-19-7-10-22(11-8-19)30-13-15-31(16-14-30)25(33)18-32-24-12-9-21(28)17-23(24)26(29-27(32)34)20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3.
What are the key properties of 6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one?
6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one has a molecular weight of 472.98 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one is sourced from PubChem (CID 46346805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).