N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide

C20H20N2O — CID 43040180

IUPACN-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
SMILESCC(C)C(NC(=O)c1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-14(2)19(15-8-4-3-5-9-15)22-20(23)17-10-6-12-18-16(17)11-7-13-21-18/h3-14,19H,1-2H3,(H,22,23)
InChIKeyYBPGKOHBLXBPLY-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.36
Rot. Bonds4

About N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide

N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide (PubChem CID 43040180) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
PubChem CID43040180
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
SMILESCC(C)C(NC(=O)c1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-14(2)19(15-8-4-3-5-9-15)22-20(23)17-10-6-12-18-16(17)11-7-13-21-18/h3-14,19H,1-2H3,(H,22,23)
InChIKeyYBPGKOHBLXBPLY-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methyl-1-phenylpropyl)quinoline-5-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)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
CID 115770742
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
(2R)-2-amino-2-phenyl-1-quinolin-5-ylethanone
CID 104891139
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide
CID 60600746
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663
2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid
CID 62696329

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide?
The IUPAC name of N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide (CID 43040180) is N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide is CC(C)C(NC(=O)c1cccc2ncccc12)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide?
The InChIKey is YBPGKOHBLXBPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14(2)19(15-8-4-3-5-9-15)22-20(23)17-10-6-12-18-16(17)11-7-13-21-18/h3-14,19H,1-2H3,(H,22,23).
What are the key properties of N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide?
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide is sourced from PubChem (CID 43040180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).