N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide

C25H19N3O — CID 69135579

IUPACN-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1C#N
InChIInChI=1S/C25H19N3O/c1-17(20-12-6-5-11-19(20)16-26)27-25(29)22-15-24(18-9-3-2-4-10-18)28-23-14-8-7-13-21(22)23/h2-15,17H,1H3,(H,27,29)/t17-/m0/s1
InChIKeyFFQDCSPWAWHLAZ-KRWDZBQOSA-N
MW377.45 g/mol
LogP5.26
Rot. Bonds4

About N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide

N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 69135579) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID69135579
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC NameN-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1C#N
InChIInChI=1S/C25H19N3O/c1-17(20-12-6-5-11-19(20)16-26)27-25(29)22-15-24(18-9-3-2-4-10-18)28-23-14-8-7-13-21(22)23/h2-15,17H,1H3,(H,27,29)/t17-/m0/s1
InChIKeyFFQDCSPWAWHLAZ-KRWDZBQOSA-N
XLogP5.26
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 159321115
N-[1-(2-methylphenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide
CID 140502878
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
[(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate
CID 7782208
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10621487
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 2327988
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
CID 17474136
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide (CID 69135579) is N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide is C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1C#N.
What is the InChIKey of N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is FFQDCSPWAWHLAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H19N3O/c1-17(20-12-6-5-11-19(20)16-26)27-25(29)22-15-24(18-9-3-2-4-10-18)28-23-14-8-7-13-21(22)23/h2-15,17H,1H3,(H,27,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide?
N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 69135579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).