(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

C16H22N2O2 — CID 139326413

IUPAC(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)CC(C)[C@H](C)N2C(C)=O
InChIInChI=1S/C16H22N2O2/c1-5-17-16(20)13-6-7-15-14(9-13)8-10(2)11(3)18(15)12(4)19/h6-7,9-11H,5,8H2,1-4H3,(H,17,20)/t10?,11-/m0/s1
InChIKeyYRIZYRJEFFHGJR-DTIOYNMSSA-N
MW274.36 g/mol
LogP2.37
Rot. Bonds2

About (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 139326413) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID139326413
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)CC(C)[C@H](C)N2C(C)=O
InChIInChI=1S/C16H22N2O2/c1-5-17-16(20)13-6-7-15-14(9-13)8-10(2)11(3)18(15)12(4)19/h6-7,9-11H,5,8H2,1-4H3,(H,17,20)/t10?,11-/m0/s1
InChIKeyYRIZYRJEFFHGJR-DTIOYNMSSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-1-acetyl-N-(3-methoxypropyl)-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167025007
ethyl (2S)-1-acetyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 139325772
(2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139325986
(2S)-1-acetyl-2-ethyl-3-methyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139325836
1-[(2S,3R)-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325834
(2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701590
(2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701670
1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325971
1-[(2S,3R)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325809
1-[(2S,3R)-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139326154
(2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701598
(2R)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671089

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 139326413) is (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is CCNC(=O)c1ccc2c(c1)CC(C)[C@H](C)N2C(C)=O.
What is the InChIKey of (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is YRIZYRJEFFHGJR-DTIOYNMSSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-17-16(20)13-6-7-15-14(9-13)8-10(2)11(3)18(15)12(4)19/h6-7,9-11H,5,8H2,1-4H3,(H,17,20)/t10?,11-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 139326413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).