3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

C24H15Cl2NO2 — CID 134093690

IUPAC3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C24H15Cl2NO2/c25-18-11-6-9-16(23(18)26)13-14-20(28)22-21(15-7-2-1-3-8-15)17-10-4-5-12-19(17)27-24(22)29/h1-14H,(H,27,29)/b14-13+
InChIKeyKAXIITIEHCHCDW-BUHFOSPRSA-N
MW420.30 g/mol
LogP6.40
Rot. Bonds4

About 3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one (PubChem CID 134093690) has the molecular formula C24H15Cl2NO2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
PubChem CID134093690
Molecular FormulaC24H15Cl2NO2
Molecular Weight420.30 g/mol
Exact Mass419.05
IUPAC Name3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C24H15Cl2NO2/c25-18-11-6-9-16(23(18)26)13-14-20(28)22-21(15-7-2-1-3-8-15)17-10-4-5-12-19(17)27-24(22)29/h1-14H,(H,27,29)/b14-13+
InChIKeyKAXIITIEHCHCDW-BUHFOSPRSA-N
XLogP6.40
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.30
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one (CID 134093690) is 3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is O=C(/C=C/c1cccc(Cl)c1Cl)c1c(-c2ccccc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is KAXIITIEHCHCDW-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H15Cl2NO2/c25-18-11-6-9-16(23(18)26)13-14-20(28)22-21(15-7-2-1-3-8-15)17-10-4-5-12-19(17)27-24(22)29/h1-14H,(H,27,29)/b14-13+.
What are the key properties of 3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 420.30 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 134093690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).