4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

C19H21NO3 — CID 6462296

IUPAC4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(=O)Nc3c2ccc(C)c3C)cc1OC
InChIInChI=1S/C19H21NO3/c1-11-5-7-14-15(10-18(21)20-19(14)12(11)2)13-6-8-16(22-3)17(9-13)23-4/h5-9,15H,10H2,1-4H3,(H,20,21)
InChIKeyXURIHHUFMKIFGO-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.79
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 6462296) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID6462296
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(=O)Nc3c2ccc(C)c3C)cc1OC
InChIInChI=1S/C19H21NO3/c1-11-5-7-14-15(10-18(21)20-19(14)12(11)2)13-6-8-16(22-3)17(9-13)23-4/h5-9,15H,10H2,1-4H3,(H,20,21)
InChIKeyXURIHHUFMKIFGO-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 2971969
(4R)-4-(4-hydroxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 7248893
(4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 7248729
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1117589
4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 15989737
(4S)-1-(3-chloro-2-methylphenyl)-4-(3,4-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833320
(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 40645376
(4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one
CID 101014350
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
(7R)-7-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086539
(7S)-7-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid
CID 95167224
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 3162351

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 6462296) is 4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is COc1ccc(C2CC(=O)Nc3c2ccc(C)c3C)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XURIHHUFMKIFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-11-5-7-14-15(10-18(21)20-19(14)12(11)2)13-6-8-16(22-3)17(9-13)23-4/h5-9,15H,10H2,1-4H3,(H,20,21).
What are the key properties of 4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 6462296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).