(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide

C15H19N3O — CID 14310136

IUPAC(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C15H19N3O/c1-10(2)8-13(16)15(19)18-12-5-6-14-11(9-12)4-3-7-17-14/h3-7,9-10,13H,8,16H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyJMZBADGWVCYHSD-ZDUSSCGKSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide

(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide (PubChem CID 14310136) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
PubChem CID14310136
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C15H19N3O/c1-10(2)8-13(16)15(19)18-12-5-6-14-11(9-12)4-3-7-17-14/h3-7,9-10,13H,8,16H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyJMZBADGWVCYHSD-ZDUSSCGKSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
CID 103498293
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
(3R)-3-methyl-N'-quinolin-6-ylpentanediamide
CID 173104431
(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
(2R)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 104902766
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 61179447

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide (CID 14310136) is (2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide?
The InChIKey is JMZBADGWVCYHSD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)8-13(16)15(19)18-12-5-6-14-11(9-12)4-3-7-17-14/h3-7,9-10,13H,8,16H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide?
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide has a molecular weight of 257.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide is sourced from PubChem (CID 14310136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).