4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol

C17H15ClN2O — CID 43731743

IUPAC4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol
SMILESCC(Nc1ccc(Cl)c2ncccc12)c1ccc(O)cc1
InChIInChI=1S/C17H15ClN2O/c1-11(12-4-6-13(21)7-5-12)20-16-9-8-15(18)17-14(16)3-2-10-19-17/h2-11,20-21H,1H3
InChIKeyTVIREBKSIIEZHG-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.77
Rot. Bonds3

About 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol

4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol (PubChem CID 43731743) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol
PubChem CID43731743
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol
SMILESCC(Nc1ccc(Cl)c2ncccc12)c1ccc(O)cc1
InChIInChI=1S/C17H15ClN2O/c1-11(12-4-6-13(21)7-5-12)20-16-9-8-15(18)17-14(16)3-2-10-19-17/h2-11,20-21H,1H3
InChIKeyTVIREBKSIIEZHG-UHFFFAOYSA-N
XLogP4.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol 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

8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
CID 43731715
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
CID 43689985
N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine
CID 43103629
5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
CID 63449094
3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol
CID 43731727
5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
CID 60928480
4-[1-(2-chloro-5-methylanilino)ethyl]phenol
CID 107631148
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
N-(1-phenylethyl)quinolin-5-amine
CID 43177987

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol?
The IUPAC name of 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol (CID 43731743) is 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol is CC(Nc1ccc(Cl)c2ncccc12)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol?
The InChIKey is TVIREBKSIIEZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(12-4-6-13(21)7-5-12)20-16-9-8-15(18)17-14(16)3-2-10-19-17/h2-11,20-21H,1H3.
What are the key properties of 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol?
4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol has a molecular weight of 298.77 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol is sourced from PubChem (CID 43731743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).