1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone

C19H21NO3 — CID 110662982

IUPAC1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
SMILESCOc1ccc2c(c1)N(C(=O)COc1ccccc1)CC(C)C2
InChIInChI=1S/C19H21NO3/c1-14-10-15-8-9-17(22-2)11-18(15)20(12-14)19(21)13-23-16-6-4-3-5-7-16/h3-9,11,14H,10,12-13H2,1-2H3
InChIKeyZWMHWDZSHJSCQX-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.30
Rot. Bonds4

About 1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone

1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone (PubChem CID 110662982) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
PubChem CID110662982
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
SMILESCOc1ccc2c(c1)N(C(=O)COc1ccccc1)CC(C)C2
InChIInChI=1S/C19H21NO3/c1-14-10-15-8-9-17(22-2)11-18(15)20(12-14)19(21)13-23-16-6-4-3-5-7-16/h3-9,11,14H,10,12-13H2,1-2H3
InChIKeyZWMHWDZSHJSCQX-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110662993
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one
CID 110662965
cyclopentyl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110662971
(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone
CID 110662984
1-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenoxyethanone
CID 110289217
1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone
CID 132516430
1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone
CID 95785407
1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone (CID 110662982) is 1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone is COc1ccc2c(c1)N(C(=O)COc1ccccc1)CC(C)C2.
What is the InChIKey of 1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
The InChIKey is ZWMHWDZSHJSCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-10-15-8-9-17(22-2)11-18(15)20(12-14)19(21)13-23-16-6-4-3-5-7-16/h3-9,11,14H,10,12-13H2,1-2H3.
What are the key properties of 1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone has a molecular weight of 311.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 110662982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).