2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one

C23H25ClN4O2 — CID 42717155

IUPAC2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
SMILESCCn1c(C(C)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C23H25ClN4O2/c1-3-28-21(25-20-7-5-4-6-19(20)23(28)30)16(2)26-12-14-27(15-13-26)22(29)17-8-10-18(24)11-9-17/h4-11,16H,3,12-15H2,1-2H3
InChIKeyUOVUTGAFOWWKNI-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.59
Rot. Bonds4

About 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one

2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one (PubChem CID 42717155) 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]ethyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
PubChem CID42717155
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
SMILESCCn1c(C(C)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C23H25ClN4O2/c1-3-28-21(25-20-7-5-4-6-19(20)23(28)30)16(2)26-12-14-27(15-13-26)22(29)17-8-10-18(24)11-9-17/h4-11,16H,3,12-15H2,1-2H3
InChIKeyUOVUTGAFOWWKNI-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42657432
2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714771
3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one
CID 42717162
2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993534
2-[1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714784
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42719605
4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 42714240
2-[1-[4-(4-nitrobenzoyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715232
N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714297
6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
CID 46570789
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714780

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one (CID 42717155) is 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one is CCn1c(C(C)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccccc2c1=O.
What is the InChIKey of 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one?
The InChIKey is UOVUTGAFOWWKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-3-28-21(25-20-7-5-4-6-19(20)23(28)30)16(2)26-12-14-27(15-13-26)22(29)17-8-10-18(24)11-9-17/h4-11,16H,3,12-15H2,1-2H3.
What are the key properties of 2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one?
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one has a molecular weight of 424.93 g/mol, XLogP of 3.59, 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]ethyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 42717155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).