(2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide

C23H25N3O2 — CID 166200916

IUPAC(2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide
SMILESC[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N
InChIInChI=1S/C23H25N3O2/c1-17(15-18-7-3-2-4-8-18)23(28)25-20-10-11-21-19(16-20)9-12-22(27)26(21)14-6-5-13-24/h2-4,7-8,10-11,16-17H,5-6,9,12,14-15H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyDGJPCHBVJFVFFP-QGZVFWFLSA-N
MW375.47 g/mol
LogP4.09
Rot. Bonds7

About (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide

(2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide (PubChem CID 166200916) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide
PubChem CID166200916
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide
SMILESC[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N
InChIInChI=1S/C23H25N3O2/c1-17(15-18-7-3-2-4-8-18)23(28)25-20-10-11-21-19(16-20)9-12-22(27)26(21)14-6-5-13-24/h2-4,7-8,10-11,16-17H,5-6,9,12,14-15H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyDGJPCHBVJFVFFP-QGZVFWFLSA-N
XLogP4.09
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide 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

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 121084335
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
CID 30376456
1-(4-cyanobutyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711347
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
2-[[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]acetic acid
CID 117099647
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide?
The IUPAC name of (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide (CID 166200916) is (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide is C[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N.
What is the InChIKey of (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide?
The InChIKey is DGJPCHBVJFVFFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(15-18-7-3-2-4-8-18)23(28)25-20-10-11-21-19(16-20)9-12-22(27)26(21)14-6-5-13-24/h2-4,7-8,10-11,16-17H,5-6,9,12,14-15H2,1H3,(H,25,28)/t17-/m1/s1.
What are the key properties of (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide?
(2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide has a molecular weight of 375.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 166200916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).