6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine

C16H21ClN2 — CID 63427847

IUPAC6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NCCC(C)(C)C)c2cccnc12
InChIInChI=1S/C16H21ClN2/c1-11-10-13(17)15(19-9-7-16(2,3)4)12-6-5-8-18-14(11)12/h5-6,8,10,19H,7,9H2,1-4H3
InChIKeyUSOPASAOQNZSNG-UHFFFAOYSA-N
MW276.81 g/mol
LogP5.04
Rot. Bonds3

About 6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine

6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine (PubChem CID 63427847) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine.

Molecular Properties

Compound Name6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
PubChem CID63427847
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NCCC(C)(C)C)c2cccnc12
InChIInChI=1S/C16H21ClN2/c1-11-10-13(17)15(19-9-7-16(2,3)4)12-6-5-8-18-14(11)12/h5-6,8,10,19H,7,9H2,1-4H3
InChIKeyUSOPASAOQNZSNG-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.81
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-(3,3-dimethylbutyl)-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-methylphenyl)methyl]quinolin-5-amine
CID 43674610
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 43674609
6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine
CID 62763180
6-[[(6-chloro-8-methylquinolin-5-yl)amino]methyl]pyridin-3-ol
CID 79782036
6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
CID 62357068
N-[(3-aminothiophen-2-yl)methyl]-6-chloro-8-methylquinolin-5-amine
CID 66385330
6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648
6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
CID 43779304
4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide
CID 116815533
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 43674643
N-(6-chloro-8-methylquinolin-5-yl)-2-ethoxyacetamide
CID 60779334

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine?
The IUPAC name of 6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine (CID 63427847) is 6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine.
What is the SMILES notation for 6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine?
The canonical SMILES for 6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine is Cc1cc(Cl)c(NCCC(C)(C)C)c2cccnc12.
What is the InChIKey of 6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine?
The InChIKey is USOPASAOQNZSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-11-10-13(17)15(19-9-7-16(2,3)4)12-6-5-8-18-14(11)12/h5-6,8,10,19H,7,9H2,1-4H3.
What are the key properties of 6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine?
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine has a molecular weight of 276.81 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine is sourced from PubChem (CID 63427847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).