(4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C19H20BrNO5 — CID 1094722

IUPAC(4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)[C@H](c1cc(Br)c(OC)c(OC)c1)CC(=O)N2
InChIInChI=1S/C19H20BrNO5/c1-23-15-7-12-11(8-18(22)21-14(12)9-16(15)24-2)10-5-13(20)19(26-4)17(6-10)25-3/h5-7,9,11H,8H2,1-4H3,(H,21,22)/t11-/m0/s1
InChIKeyAMYVWAHDAZZPTB-NSHDSACASA-N
MW422.28 g/mol
LogP3.96
Rot. Bonds5

About (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

(4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 1094722) has the molecular formula C19H20BrNO5 and a molecular weight of 422.28 g/mol. Its IUPAC name is (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID1094722
Molecular FormulaC19H20BrNO5
Molecular Weight422.28 g/mol
Exact Mass421.05
IUPAC Name(4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)[C@H](c1cc(Br)c(OC)c(OC)c1)CC(=O)N2
InChIInChI=1S/C19H20BrNO5/c1-23-15-7-12-11(8-18(22)21-14(12)9-16(15)24-2)10-5-13(20)19(26-4)17(6-10)25-3/h5-7,9,11H,8H2,1-4H3,(H,21,22)/t11-/m0/s1
InChIKeyAMYVWAHDAZZPTB-NSHDSACASA-N
XLogP3.96
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-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

4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2955307
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2964923
(4S)-6,7-dimethoxy-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 1045745
(4S)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 707554
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231
6,7-dimethoxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 2962899
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
(4R)-4-(furan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248702
4-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312554
4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2973014

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 1094722) is (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)[C@H](c1cc(Br)c(OC)c(OC)c1)CC(=O)N2.
What is the InChIKey of (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AMYVWAHDAZZPTB-NSHDSACASA-N. The full InChI is InChI=1S/C19H20BrNO5/c1-23-15-7-12-11(8-18(22)21-14(12)9-16(15)24-2)10-5-13(20)19(26-4)17(6-10)25-3/h5-7,9,11H,8H2,1-4H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 422.28 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 1094722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).