3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one

C23H23N3O2 — CID 55486029

IUPAC3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c27-22-20(17-19-10-4-5-11-21(19)24-22)23(28)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11,17H,12-16H2,(H,24,27)/b9-6+
InChIKeyRVCKZLVJKJIECP-RMKNXTFCSA-N
MW373.46 g/mol
LogP3.00
Rot. Bonds4

About 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one

3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 55486029) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID55486029
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c27-22-20(17-19-10-4-5-11-21(19)24-22)23(28)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11,17H,12-16H2,(H,24,27)/b9-6+
InChIKeyRVCKZLVJKJIECP-RMKNXTFCSA-N
XLogP3.00
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167660
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one
CID 23763970
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione
CID 84557073
4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one
CID 23855199

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one (CID 55486029) is 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc2ccccc2[nH]c1=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is RVCKZLVJKJIECP-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22-20(17-19-10-4-5-11-21(19)24-22)23(28)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11,17H,12-16H2,(H,24,27)/b9-6+.
What are the key properties of 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 55486029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).