(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide

C14H16ClN3O — CID 79024943

IUPAC(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
SMILESCC[C@H](N)C(=O)Nc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C14H16ClN3O/c1-3-11(16)14(19)18-13-9-5-4-6-17-12(9)8(2)7-10(13)15/h4-7,11H,3,16H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyLZFHFVQDBDLANY-NSHDSACASA-N
MW277.75 g/mol
LogP2.87
Rot. Bonds3

About (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide

(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide (PubChem CID 79024943) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
PubChem CID79024943
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
SMILESCC[C@H](N)C(=O)Nc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C14H16ClN3O/c1-3-11(16)14(19)18-13-9-5-4-6-17-12(9)8(2)7-10(13)15/h4-7,11H,3,16H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyLZFHFVQDBDLANY-NSHDSACASA-N
XLogP2.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide
CID 61155650
2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 55126113
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
CID 80543358
N-(6-chloro-8-methylquinolin-5-yl)-2-ethoxyacetamide
CID 60779334
2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid
CID 61329018
N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103737695
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
N-(6-chloro-8-methylquinolin-5-yl)-1,3-thiazole-4-carboxamide
CID 63047841
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
CID 43779304

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide (CID 79024943) is (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide is CC[C@H](N)C(=O)Nc1c(Cl)cc(C)c2ncccc12.
What is the InChIKey of (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide?
The InChIKey is LZFHFVQDBDLANY-NSHDSACASA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-11(16)14(19)18-13-9-5-4-6-17-12(9)8(2)7-10(13)15/h4-7,11H,3,16H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide?
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide has a molecular weight of 277.75 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide is sourced from PubChem (CID 79024943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).