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

C19H20BrNO3 — CID 3805304

IUPAC4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(C2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1OC
InChIInChI=1S/C19H20BrNO3/c1-10-5-14-13(9-18(22)21-16(14)6-11(10)2)12-7-15(20)19(24-4)17(8-12)23-3/h5-8,13H,9H2,1-4H3,(H,21,22)
InChIKeyYYXRVOBGAKJLIL-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.56
Rot. Bonds3

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

4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3805304) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID3805304
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(C2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1OC
InChIInChI=1S/C19H20BrNO3/c1-10-5-14-13(9-18(22)21-16(14)6-11(10)2)12-7-15(20)19(24-4)17(8-12)23-3/h5-8,13H,9H2,1-4H3,(H,21,22)
InChIKeyYYXRVOBGAKJLIL-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 3805304) is 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is COc1cc(C2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1OC.
What is the InChIKey of 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YYXRVOBGAKJLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-10-5-14-13(9-18(22)21-16(14)6-11(10)2)12-7-15(20)19(24-4)17(8-12)23-3/h5-8,13H,9H2,1-4H3,(H,21,22).
What are the key properties of 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 390.28 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3805304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).