2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one

C23H25ClN4O2 — CID 42657432

IUPAC2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-3-20(21-25-19-7-5-4-6-18(19)23(30)26(21)2)27-12-14-28(15-13-27)22(29)16-8-10-17(24)11-9-16/h4-11,20H,3,12-15H2,1-2H3
InChIKeyHKFCKKFQLPGELB-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.50
Rot. Bonds4

About 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one

2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one (PubChem CID 42657432) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one
PubChem CID42657432
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-3-20(21-25-19-7-5-4-6-18(19)23(30)26(21)2)27-12-14-28(15-13-27)22(29)16-8-10-17(24)11-9-16/h4-11,20H,3,12-15H2,1-2H3
InChIKeyHKFCKKFQLPGELB-UHFFFAOYSA-N
XLogP3.50
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
CID 42717155
4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide
CID 42714842
2-[1-[4-(4-nitrobenzoyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715232
2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714771
2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993534
2-[1-[4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42714662
2-[1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714784
2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715229
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
3-methyl-2-[1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714658
2-[1-[4-(4-chloro-3-nitrobenzoyl)piperazin-1-yl]propyl]-3-(4-ethoxyphenyl)quinazolin-4-one
CID 42717280
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one (CID 42657432) is 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one is CCC(c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one?
The InChIKey is HKFCKKFQLPGELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-3-20(21-25-19-7-5-4-6-18(19)23(30)26(21)2)27-12-14-28(15-13-27)22(29)16-8-10-17(24)11-9-16/h4-11,20H,3,12-15H2,1-2H3.
What are the key properties of 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one?
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one has a molecular weight of 424.93 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 42657432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).