6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one

C23H27N3O — CID 6448084

IUPAC6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(N2CCN(C/C=C/c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C23H27N3O/c1-18-4-2-6-21(16-18)26-14-12-25(13-15-26)11-3-5-19-7-9-22-20(17-19)8-10-23(27)24-22/h2-7,9,16-17H,8,10-15H2,1H3,(H,24,27)/b5-3+
InChIKeyKZQKLDVPEILOPW-HWKANZROSA-N
MW361.49 g/mol
LogP3.72
Rot. Bonds4

About 6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one

6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 6448084) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID6448084
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(N2CCN(C/C=C/c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C23H27N3O/c1-18-4-2-6-21(16-18)26-14-12-25(13-15-26)11-3-5-19-7-9-22-20(17-19)8-10-23(27)24-22/h2-7,9,16-17H,8,10-15H2,1H3,(H,24,27)/b5-3+
InChIKeyKZQKLDVPEILOPW-HWKANZROSA-N
XLogP3.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one (CID 6448084) is 6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cccc(N2CCN(C/C=C/c3ccc4c(c3)CCC(=O)N4)CC2)c1.
What is the InChIKey of 6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KZQKLDVPEILOPW-HWKANZROSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-4-2-6-21(16-18)26-14-12-25(13-15-26)11-3-5-19-7-9-22-20(17-19)8-10-23(27)24-22/h2-7,9,16-17H,8,10-15H2,1H3,(H,24,27)/b5-3+.
What are the key properties of 6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 361.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 6448084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).