(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide

C16H20ClN3O — CID 61155650

IUPAC(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide
SMILESCc1cc(Cl)c(NC(=O)[C@@H](N)CC(C)C)c2cccnc12
InChIInChI=1S/C16H20ClN3O/c1-9(2)7-13(18)16(21)20-15-11-5-4-6-19-14(11)10(3)8-12(15)17/h4-6,8-9,13H,7,18H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeySHHCMOREOXNMBA-ZDUSSCGKSA-N
MW305.81 g/mol
LogP3.51
Rot. Bonds4

About (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide

(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide (PubChem CID 61155650) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide
PubChem CID61155650
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide
SMILESCc1cc(Cl)c(NC(=O)[C@@H](N)CC(C)C)c2cccnc12
InChIInChI=1S/C16H20ClN3O/c1-9(2)7-13(18)16(21)20-15-11-5-4-6-19-14(11)10(3)8-12(15)17/h4-6,8-9,13H,7,18H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeySHHCMOREOXNMBA-ZDUSSCGKSA-N
XLogP3.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 79024943
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
CID 80543358
2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 55126113
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-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
N-(6-chloro-8-methylquinolin-5-yl)-1,3-thiazole-4-carboxamide
CID 63047841
2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
CID 61161551
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide (CID 61155650) is (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide is Cc1cc(Cl)c(NC(=O)[C@@H](N)CC(C)C)c2cccnc12.
What is the InChIKey of (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide?
The InChIKey is SHHCMOREOXNMBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-9(2)7-13(18)16(21)20-15-11-5-4-6-19-14(11)10(3)8-12(15)17/h4-6,8-9,13H,7,18H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide?
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide has a molecular weight of 305.81 g/mol, XLogP of 3.51, 4 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)-4-methylpentanamide is sourced from PubChem (CID 61155650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).