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

C21H25NO5 — CID 18122079

IUPAC1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C21H25NO5/c1-24-16-8-9-17-14(12-16)6-5-11-22(17)19(23)13-15-7-10-18(25-2)21(27-4)20(15)26-3/h7-10,12H,5-6,11,13H2,1-4H3
InChIKeyGZNRPGIAONHQHZ-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.24
Rot. Bonds6

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

1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone (PubChem CID 18122079) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
PubChem CID18122079
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C21H25NO5/c1-24-16-8-9-17-14(12-16)6-5-11-22(17)19(23)13-15-7-10-18(25-2)21(27-4)20(15)26-3/h7-10,12H,5-6,11,13H2,1-4H3
InChIKeyGZNRPGIAONHQHZ-UHFFFAOYSA-N
XLogP3.24
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone with MolForge

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435162
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
CID 84556507
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
2-[2-hydroxypropyl(propan-2-yl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 111107882
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134030951
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(7-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 146082584
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone?
The IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone (CID 18122079) is 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone is COc1ccc2c(c1)CCCN2C(=O)Cc1ccc(OC)c(OC)c1OC.
What is the InChIKey of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone?
The InChIKey is GZNRPGIAONHQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-24-16-8-9-17-14(12-16)6-5-11-22(17)19(23)13-15-7-10-18(25-2)21(27-4)20(15)26-3/h7-10,12H,5-6,11,13H2,1-4H3.
What are the key properties of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone?
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone has a molecular weight of 371.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone is sourced from PubChem (CID 18122079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).