N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide

C23H26N4O2 — CID 68580995

IUPACN-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide
SMILESN#Cc1ccc2c(c1)C[C@H](NC(=O)CN1CCOCC1)CN2Cc1ccccc1
InChIInChI=1S/C23H26N4O2/c24-14-19-6-7-22-20(12-19)13-21(16-27(22)15-18-4-2-1-3-5-18)25-23(28)17-26-8-10-29-11-9-26/h1-7,12,21H,8-11,13,15-17H2,(H,25,28)/t21-/m0/s1
InChIKeyJDIWKTBSNCYOHM-NRFANRHFSA-N
MW390.49 g/mol
LogP1.94
Rot. Bonds5

About N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide

N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide (PubChem CID 68580995) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide
PubChem CID68580995
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide
SMILESN#Cc1ccc2c(c1)C[C@H](NC(=O)CN1CCOCC1)CN2Cc1ccccc1
InChIInChI=1S/C23H26N4O2/c24-14-19-6-7-22-20(12-19)13-21(16-27(22)15-18-4-2-1-3-5-18)25-23(28)17-26-8-10-29-11-9-26/h1-7,12,21H,8-11,13,15-17H2,(H,25,28)/t21-/m0/s1
InChIKeyJDIWKTBSNCYOHM-NRFANRHFSA-N
XLogP1.94
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68580895
N-[(3S)-1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68581032
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide
CID 52932493
N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide
CID 68580514
cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 11604237
(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
CID 66757512
N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 66757324
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide
CID 68582624
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504
N-[1-[(3-chlorophenyl)methyl]-6-isocyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 58674919
3-(1,3-benzodioxol-5-yl)-N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)propanamide
CID 59297033
N-(1-benzyl-6-isocyano-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide
CID 58674918

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide (CID 68580995) is N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide is N#Cc1ccc2c(c1)C[C@H](NC(=O)CN1CCOCC1)CN2Cc1ccccc1.
What is the InChIKey of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide?
The InChIKey is JDIWKTBSNCYOHM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-14-19-6-7-22-20(12-19)13-21(16-27(22)15-18-4-2-1-3-5-18)25-23(28)17-26-8-10-29-11-9-26/h1-7,12,21H,8-11,13,15-17H2,(H,25,28)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide?
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide has a molecular weight of 390.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 68580995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).