(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide

C16H21N3O — CID 61148862

IUPAC(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
SMILESCc1cc(NC(=O)[C@@H](N)CC(C)C)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-10(2)8-13(17)16(20)19-15-9-11(3)18-14-7-5-4-6-12(14)15/h4-7,9-10,13H,8,17H2,1-3H3,(H,18,19,20)/t13-/m0/s1
InChIKeyQBZWDNSRRKURGO-ZDUSSCGKSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide

(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide (PubChem CID 61148862) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
PubChem CID61148862
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
SMILESCc1cc(NC(=O)[C@@H](N)CC(C)C)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-10(2)8-13(17)16(20)19-15-9-11(3)18-14-7-5-4-6-12(14)15/h4-7,9-10,13H,8,17H2,1-3H3,(H,18,19,20)/t13-/m0/s1
InChIKeyQBZWDNSRRKURGO-ZDUSSCGKSA-N
XLogP2.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
CID 64894250
5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 104683446
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylquinolin-4-yl)butanamide
CID 23886100
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide (CID 61148862) is (2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide is Cc1cc(NC(=O)[C@@H](N)CC(C)C)c2ccccc2n1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide?
The InChIKey is QBZWDNSRRKURGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)8-13(17)16(20)19-15-9-11(3)18-14-7-5-4-6-12(14)15/h4-7,9-10,13H,8,17H2,1-3H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide?
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide has a molecular weight of 271.36 g/mol, XLogP of 2.86, 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-(2-methylquinolin-4-yl)pentanamide is sourced from PubChem (CID 61148862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).