8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine

C18H23ClN2 — CID 63445839

IUPAC8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine
SMILESCC(C)C1CCC(Nc2ccc(Cl)c3ncccc23)CC1
InChIInChI=1S/C18H23ClN2/c1-12(2)13-5-7-14(8-6-13)21-17-10-9-16(19)18-15(17)4-3-11-20-18/h3-4,9-14,21H,5-8H2,1-2H3
InChIKeyOFHILCPEVVGGNV-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.51
Rot. Bonds3

About 8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine

8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine (PubChem CID 63445839) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine
PubChem CID63445839
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine
SMILESCC(C)C1CCC(Nc2ccc(Cl)c3ncccc23)CC1
InChIInChI=1S/C18H23ClN2/c1-12(2)13-5-7-14(8-6-13)21-17-10-9-16(19)18-15(17)4-3-11-20-18/h3-4,9-14,21H,5-8H2,1-2H3
InChIKeyOFHILCPEVVGGNV-UHFFFAOYSA-N
XLogP5.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-4-yl)-8-chloroquinolin-5-amine
CID 103981370
5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine
CID 64500044
8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
CID 43731715
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63423041
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 103478140
8-chloro-N-heptylquinolin-5-amine
CID 43731731
N-(2-chloro-5-fluorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107527132
8-methyl-N-(oxepan-4-yl)quinolin-5-amine
CID 65082047
N-(4-propan-2-ylcyclohexyl)-2-pyrazol-1-ylpyridin-3-amine
CID 63446201
4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol
CID 43731743

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine?
The IUPAC name of 8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine (CID 63445839) is 8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine.
What is the SMILES notation for 8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine?
The canonical SMILES for 8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine is CC(C)C1CCC(Nc2ccc(Cl)c3ncccc23)CC1.
What is the InChIKey of 8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine?
The InChIKey is OFHILCPEVVGGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-12(2)13-5-7-14(8-6-13)21-17-10-9-16(19)18-15(17)4-3-11-20-18/h3-4,9-14,21H,5-8H2,1-2H3.
What are the key properties of 8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine?
8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine has a molecular weight of 302.85 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine is sourced from PubChem (CID 63445839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).