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

C15H18ClN3O — CID 80543358

IUPAC4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
SMILESCc1cc(Cl)c(NC(=O)C(C)CCN)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c1-9(5-6-17)15(20)19-14-11-4-3-7-18-13(11)10(2)8-12(14)16/h3-4,7-9H,5-6,17H2,1-2H3,(H,19,20)
InChIKeyYYHKYWVZBOBLIG-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.12
Rot. Bonds4

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

4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide (PubChem CID 80543358) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
PubChem CID80543358
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
SMILESCc1cc(Cl)c(NC(=O)C(C)CCN)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c1-9(5-6-17)15(20)19-14-11-4-3-7-18-13(11)10(2)8-12(14)16/h3-4,7-9H,5-6,17H2,1-2H3,(H,19,20)
InChIKeyYYHKYWVZBOBLIG-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.12
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
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 79024943
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
6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
CID 43779304
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
N-(6-chloro-8-methylquinolin-5-yl)-1,3-thiazole-4-carboxamide
CID 63047841
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542320

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide (CID 80543358) is 4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide is Cc1cc(Cl)c(NC(=O)C(C)CCN)c2cccnc12.
What is the InChIKey of 4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide?
The InChIKey is YYHKYWVZBOBLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9(5-6-17)15(20)19-14-11-4-3-7-18-13(11)10(2)8-12(14)16/h3-4,7-9H,5-6,17H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide?
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide has a molecular weight of 291.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide is sourced from PubChem (CID 80543358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).