8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one

C23H23ClN4O — CID 135546625

IUPAC8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2=CC(N3CCN(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12
InChIInChI=1S/C23H23ClN4O/c24-20-8-4-7-19-21(20)25-22(26-23(19)29)16-9-10-18(15-16)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h1-8,15,18H,9-14H2,(H,25,26,29)
InChIKeyWNEPTDHWAVZIFO-UHFFFAOYSA-N
MW406.92 g/mol
LogP3.94
Rot. Bonds3

About 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one

8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one (PubChem CID 135546625) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one
PubChem CID135546625
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2=CC(N3CCN(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12
InChIInChI=1S/C23H23ClN4O/c24-20-8-4-7-19-21(20)25-22(26-23(19)29)16-9-10-18(15-16)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h1-8,15,18H,9-14H2,(H,25,26,29)
InChIKeyWNEPTDHWAVZIFO-UHFFFAOYSA-N
XLogP3.94
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one
CID 126619594
4-[3-(8-nitro-5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazine-1-carboxylic acid
CID 146468760
methane;4-[4-[(1R)-3-(1-oxo-2H-2,7-naphthyridin-3-yl)cyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile
CID 162181308
6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
CID 73369799
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
4-[4-[(1R)-3-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)cyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile
CID 126602458
2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloro-3H-quinazolin-4-one
CID 137108927
1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine
CID 3836350
2-[1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one
CID 169148949
(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17371778
1-methyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 141390559
4-[4-[(1R)-3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylbenzamide
CID 118679252

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one (CID 135546625) is 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one is O=c1[nH]c(C2=CC(N3CCN(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one?
The InChIKey is WNEPTDHWAVZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O/c24-20-8-4-7-19-21(20)25-22(26-23(19)29)16-9-10-18(15-16)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h1-8,15,18H,9-14H2,(H,25,26,29).
What are the key properties of 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one?
8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one has a molecular weight of 406.92 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135546625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).