8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine

C17H14Cl2N2 — CID 43731715

IUPAC8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
SMILESCC(Nc1ccc(Cl)c2ncccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2/c1-11(12-4-6-13(18)7-5-12)21-16-9-8-15(19)17-14(16)3-2-10-20-17/h2-11,21H,1H3
InChIKeyOWNCFBMTUZHDGJ-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.71
Rot. Bonds3

About 8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine

8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine (PubChem CID 43731715) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
PubChem CID43731715
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
SMILESCC(Nc1ccc(Cl)c2ncccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2/c1-11(12-4-6-13(18)7-5-12)21-16-9-8-15(19)17-14(16)3-2-10-20-17/h2-11,21H,1H3
InChIKeyOWNCFBMTUZHDGJ-UHFFFAOYSA-N
XLogP5.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol
CID 43731743
5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine
CID 43103629
5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
CID 63449094
5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
CID 60928480
N-[1-(4-chlorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 43706283
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166360
8-chloro-5-fluoroquinoline
CID 53435993
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine
CID 63445839

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine?
The IUPAC name of 8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine (CID 43731715) is 8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine.
What is the SMILES notation for 8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine?
The canonical SMILES for 8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine is CC(Nc1ccc(Cl)c2ncccc12)c1ccc(Cl)cc1.
What is the InChIKey of 8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine?
The InChIKey is OWNCFBMTUZHDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-11(12-4-6-13(18)7-5-12)21-16-9-8-15(19)17-14(16)3-2-10-20-17/h2-11,21H,1H3.
What are the key properties of 8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine?
8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine has a molecular weight of 317.22 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine is sourced from PubChem (CID 43731715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).