(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide

C20H21N3O — CID 32727431

IUPAC(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1ccccc1
InChIInChI=1S/C20H21N3O/c1-15(23(2)14-16-8-4-3-5-9-16)20(24)22-19-12-6-11-18-17(19)10-7-13-21-18/h3-13,15H,14H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyHXASQENKEMOQKF-HNNXBMFYSA-N
MW319.41 g/mol
LogP3.69
Rot. Bonds5

About (2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide

(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide (PubChem CID 32727431) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
PubChem CID32727431
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1ccccc1
InChIInChI=1S/C20H21N3O/c1-15(23(2)14-16-8-4-3-5-9-16)20(24)22-19-12-6-11-18-17(19)10-7-13-21-18/h3-13,15H,14H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyHXASQENKEMOQKF-HNNXBMFYSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide
CID 42890733
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide
CID 153367729
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676
(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 94177190
2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide
CID 47027514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide?
The IUPAC name of (2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide (CID 32727431) is (2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide.
What is the SMILES notation for (2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide?
The canonical SMILES for (2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide is C[C@@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1ccccc1.
What is the InChIKey of (2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide?
The InChIKey is HXASQENKEMOQKF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15(23(2)14-16-8-4-3-5-9-16)20(24)22-19-12-6-11-18-17(19)10-7-13-21-18/h3-13,15H,14H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide?
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide has a molecular weight of 319.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 32727431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).