7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one

C24H24ClN3O2 — CID 100739421

IUPAC7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one
SMILESO=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H24ClN3O2/c25-20-8-9-21-22(17-20)28(12-10-23(21)29)18-24(30)27-15-13-26(14-16-27)11-4-7-19-5-2-1-3-6-19/h1-10,12,17H,11,13-16,18H2/b7-4+
InChIKeyFQEQCDIZSCHFSA-QPJJXVBHSA-N
MW421.93 g/mol
LogP3.51
Rot. Bonds5

About 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one

7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one (PubChem CID 100739421) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one
PubChem CID100739421
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one
SMILESO=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H24ClN3O2/c25-20-8-9-21-22(17-20)28(12-10-23(21)29)18-24(30)27-15-13-26(14-16-27)11-4-7-19-5-2-1-3-6-19/h1-10,12,17H,11,13-16,18H2/b7-4+
InChIKeyFQEQCDIZSCHFSA-QPJJXVBHSA-N
XLogP3.51
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one with MolForge

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Related Compounds

6-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one
CID 100735956
6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one
CID 100735726
(E)-3-(3-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
CID 6058638
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-bromoquinolin-4-one
CID 100737310
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one
CID 18104717
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one
CID 100735436
N-(3-chlorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]methanesulfonamide
CID 99150501
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one?
The IUPAC name of 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one (CID 100739421) is 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one.
What is the SMILES notation for 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one?
The canonical SMILES for 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one is O=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one?
The InChIKey is FQEQCDIZSCHFSA-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-20-8-9-21-22(17-20)28(12-10-23(21)29)18-24(30)27-15-13-26(14-16-27)11-4-7-19-5-2-1-3-6-19/h1-10,12,17H,11,13-16,18H2/b7-4+.
What are the key properties of 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one?
7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one has a molecular weight of 421.93 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one is sourced from PubChem (CID 100739421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).