3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one

C25H18BrNO2 — CID 2882181

IUPAC3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(=O)C=Cc3ccc(Br)cc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C25H18BrNO2/c1-16-7-13-21-20(15-16)23(18-5-3-2-4-6-18)24(25(29)27-21)22(28)14-10-17-8-11-19(26)12-9-17/h2-15H,1H3,(H,27,29)
InChIKeyVPOOTIZUKSQPMW-UHFFFAOYSA-N
MW444.33 g/mol
LogP6.16
Rot. Bonds4

About 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one

3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one (PubChem CID 2882181) has the molecular formula C25H18BrNO2 and a molecular weight of 444.33 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one
PubChem CID2882181
Molecular FormulaC25H18BrNO2
Molecular Weight444.33 g/mol
Exact Mass443.05
IUPAC Name3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(=O)C=Cc3ccc(Br)cc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C25H18BrNO2/c1-16-7-13-21-20(15-16)23(18-5-3-2-4-6-18)24(25(29)27-21)22(28)14-10-17-8-11-19(26)12-9-17/h2-15H,1H3,(H,27,29)
InChIKeyVPOOTIZUKSQPMW-UHFFFAOYSA-N
XLogP6.16
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.33
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-4-phenyl-3-[(E)-3-quinoxalin-6-ylprop-2-enoyl]-1H-quinolin-2-one
CID 47087850
6-bromo-4-phenyl-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one
CID 5337923
6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 5345818
6-chloro-3-[3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3123581
3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one
CID 6175110
4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one
CID 75538876
6-chloro-3-[3-(2-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 4668889
6-chloro-3-[(E)-3-(5-chloro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 134247975
6-bromo-3-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 5195017
6-chloro-3-[3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 2879879
3-[(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one
CID 86807150
6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one
CID 135954546

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one (CID 2882181) is 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(C(=O)C=Cc3ccc(Br)cc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one?
The InChIKey is VPOOTIZUKSQPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrNO2/c1-16-7-13-21-20(15-16)23(18-5-3-2-4-6-18)24(25(29)27-21)22(28)14-10-17-8-11-19(26)12-9-17/h2-15H,1H3,(H,27,29).
What are the key properties of 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one?
3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one has a molecular weight of 444.33 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 2882181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).