2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

C20H23NO5 — CID 110636703

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1ccc2c(c1)C(O)CCN2C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-24-14-5-6-16-15(12-14)17(22)8-9-21(16)20(23)11-13-4-7-18(25-2)19(10-13)26-3/h4-7,10,12,17,22H,8-9,11H2,1-3H3
InChIKeyAWXAQJUDRMODGF-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.73
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 110636703) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID110636703
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1ccc2c(c1)C(O)CCN2C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-24-14-5-6-16-15(12-14)17(22)8-9-21(16)20(23)11-13-4-7-18(25-2)19(10-13)26-3/h4-7,10,12,17,22H,8-9,11H2,1-3H3
InChIKeyAWXAQJUDRMODGF-UHFFFAOYSA-N
XLogP2.73
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110709443
(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636672
2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636689
2-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(7-fluoro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 136554973
1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
CID 110636690
4-hydroxy-6-methoxy-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636732
4-hydroxy-6-methoxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636695
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636661
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 34737061
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110636401
1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110636565
(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636711

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 110636703) is 2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is COc1ccc2c(c1)C(O)CCN2C(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is AWXAQJUDRMODGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-14-5-6-16-15(12-14)17(22)8-9-21(16)20(23)11-13-4-7-18(25-2)19(10-13)26-3/h4-7,10,12,17,22H,8-9,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 357.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 110636703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).