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

C19H20BrNO5 — CID 2955307

IUPAC4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(Br)c(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C19H20BrNO5/c1-23-15-5-11(13(20)8-17(15)25-3)10-7-19(22)21-14-9-18(26-4)16(24-2)6-12(10)14/h5-6,8-10H,7H2,1-4H3,(H,21,22)
InChIKeyOGYAFGGPXYEEDT-UHFFFAOYSA-N
MW422.28 g/mol
LogP3.96
Rot. Bonds5

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

4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2955307) has the molecular formula C19H20BrNO5 and a molecular weight of 422.28 g/mol. Its IUPAC name is 4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2955307
Molecular FormulaC19H20BrNO5
Molecular Weight422.28 g/mol
Exact Mass421.05
IUPAC Name4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(Br)c(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C19H20BrNO5/c1-23-15-5-11(13(20)8-17(15)25-3)10-7-19(22)21-14-9-18(26-4)16(24-2)6-12(10)14/h5-6,8-10H,7H2,1-4H3,(H,21,22)
InChIKeyOGYAFGGPXYEEDT-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 2955307) is 4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc(Br)c(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1OC.
What is the InChIKey of 4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OGYAFGGPXYEEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO5/c1-23-15-5-11(13(20)8-17(15)25-3)10-7-19(22)21-14-9-18(26-4)16(24-2)6-12(10)14/h5-6,8-10H,7H2,1-4H3,(H,21,22).
What are the key properties of 4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(2-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 4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2955307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).