1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C15H21NO2 — CID 167633246

IUPAC1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC[C@@H]1CCN(C(C)=O)c2cc(C)cc(OC)c21
InChIInChI=1S/C15H21NO2/c1-5-12-6-7-16(11(3)17)13-8-10(2)9-14(18-4)15(12)13/h8-9,12H,5-7H2,1-4H3/t12-/m1/s1
InChIKeyYFBCPVJBAZNVMI-GFCCVEGCSA-N
MW247.34 g/mol
LogP3.25
Rot. Bonds2

About 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 167633246) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID167633246
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC[C@@H]1CCN(C(C)=O)c2cc(C)cc(OC)c21
InChIInChI=1S/C15H21NO2/c1-5-12-6-7-16(11(3)17)13-8-10(2)9-14(18-4)15(12)13/h8-9,12H,5-7H2,1-4H3/t12-/m1/s1
InChIKeyYFBCPVJBAZNVMI-GFCCVEGCSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 167639273
2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol
CID 167543822
9H-fluoren-9-ylmethyl (4R)-8-bromo-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 167709506
ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
CID 110764961
1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 142306751
butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 91310287
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 82626413
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
[(4S)-8-bromo-4-(2-hydroxyethyl)-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 167601445
sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate
CID 174500982
methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate
CID 59723692

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 167633246) is 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC[C@@H]1CCN(C(C)=O)c2cc(C)cc(OC)c21.
What is the InChIKey of 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is YFBCPVJBAZNVMI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-12-6-7-16(11(3)17)13-8-10(2)9-14(18-4)15(12)13/h8-9,12H,5-7H2,1-4H3/t12-/m1/s1.
What are the key properties of 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 167633246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).