6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine

C16H21ClN2 — CID 43779304

IUPAC6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
SMILESCCCCC(C)Nc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C16H21ClN2/c1-4-5-7-12(3)19-16-13-8-6-9-18-15(13)11(2)10-14(16)17/h6,8-10,12,19H,4-5,7H2,1-3H3
InChIKeyKLRNPOCEUPUKKC-UHFFFAOYSA-N
MW276.81 g/mol
LogP5.19
Rot. Bonds5

About 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine

6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine (PubChem CID 43779304) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine.

Molecular Properties

Compound Name6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
PubChem CID43779304
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
SMILESCCCCC(C)Nc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C16H21ClN2/c1-4-5-7-12(3)19-16-13-8-6-9-18-15(13)11(2)10-14(16)17/h6,8-10,12,19H,4-5,7H2,1-3H3
InChIKeyKLRNPOCEUPUKKC-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.81
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 43674643
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
CID 80543358
6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 43779310
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine
CID 104652307
7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
6-chloro-8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43674677
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847
(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
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
CID 62357068

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine?
The IUPAC name of 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine (CID 43779304) is 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine.
What is the SMILES notation for 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine?
The canonical SMILES for 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine is CCCCC(C)Nc1c(Cl)cc(C)c2ncccc12.
What is the InChIKey of 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine?
The InChIKey is KLRNPOCEUPUKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-4-5-7-12(3)19-16-13-8-6-9-18-15(13)11(2)10-14(16)17/h6,8-10,12,19H,4-5,7H2,1-3H3.
What are the key properties of 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine?
6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine has a molecular weight of 276.81 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine is sourced from PubChem (CID 43779304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).