6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

C24H15BrClNO2 — CID 5345818

IUPAC6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccccc1Cl)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C24H15BrClNO2/c25-17-11-12-20-18(14-17)22(16-7-2-1-3-8-16)23(24(29)27-20)21(28)13-10-15-6-4-5-9-19(15)26/h1-14H,(H,27,29)/b13-10+
InChIKeyYGUVCDLHHYHWQO-JLHYYAGUSA-N
MW464.75 g/mol
LogP6.51
Rot. Bonds4

About 6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one (PubChem CID 5345818) has the molecular formula C24H15BrClNO2 and a molecular weight of 464.75 g/mol. Its IUPAC name is 6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
PubChem CID5345818
Molecular FormulaC24H15BrClNO2
Molecular Weight464.75 g/mol
Exact Mass463.00
IUPAC Name6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccccc1Cl)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C24H15BrClNO2/c25-17-11-12-20-18(14-17)22(16-7-2-1-3-8-16)23(24(29)27-20)21(28)13-10-15-6-4-5-9-19(15)26/h1-14H,(H,27,29)/b13-10+
InChIKeyYGUVCDLHHYHWQO-JLHYYAGUSA-N
XLogP6.51
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.75
LogP ≤ 56.51
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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Related Compounds

6-chloro-3-[3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 2879879
6-bromo-3-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 5195017
3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 134093690
6-chloro-3-[3-(2-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 4668889
6-bromo-4-phenyl-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one
CID 5337923
3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one
CID 2882181
3-[(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one
CID 86807150
6-chloro-3-[3-(2-chloroquinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3272201
6-chloro-3-[(E)-3-(5-chloro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 134247975
6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one
CID 3131553
6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one
CID 135954546
3-[3-(1H-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one
CID 3259138

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one (CID 5345818) is 6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is O=C(/C=C/c1ccccc1Cl)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of 6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is YGUVCDLHHYHWQO-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H15BrClNO2/c25-17-11-12-20-18(14-17)22(16-7-2-1-3-8-16)23(24(29)27-20)21(28)13-10-15-6-4-5-9-19(15)26/h1-14H,(H,27,29)/b13-10+.
What are the key properties of 6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 464.75 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 5345818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).