3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol

C16H13ClN2O — CID 43731727

IUPAC3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol
SMILESOc1cccc(CNc2ccc(Cl)c3ncccc23)c1
InChIInChI=1S/C16H13ClN2O/c17-14-6-7-15(13-5-2-8-18-16(13)14)19-10-11-3-1-4-12(20)9-11/h1-9,19-20H,10H2
InChIKeyWYGHARVKEJNVSY-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.21
Rot. Bonds3

About 3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol

3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol (PubChem CID 43731727) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol
PubChem CID43731727
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol
SMILESOc1cccc(CNc2ccc(Cl)c3ncccc23)c1
InChIInChI=1S/C16H13ClN2O/c17-14-6-7-15(13-5-2-8-18-16(13)14)19-10-11-3-1-4-12(20)9-11/h1-9,19-20H,10H2
InChIKeyWYGHARVKEJNVSY-UHFFFAOYSA-N
XLogP4.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(8-chloroquinolin-5-yl)amino]methyl]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

N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
CID 43731668
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
CID 43731510
3-[(2-chloro-5-iodoanilino)methyl]phenol
CID 114258558
8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine
CID 43788302
8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
CID 62763903
5-[[3-[[2-ethenyl-4-hydroxy-3-(methylamino)anilino]methyl]phenyl]methylamino]quinolin-8-ol
CID 143149147
2-[[(8-chloroquinolin-5-yl)amino]methyl]benzonitrile
CID 107935902
ethane;5-[[3-[[2-ethenyl-4-hydroxy-3-(methylamino)anilino]methyl]phenyl]methylamino]quinolin-8-ol
CID 143149146
8-chloro-N-heptylquinolin-5-amine
CID 43731731
4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol
CID 43731743

Frequently Asked Questions

What is the IUPAC name of 3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol (CID 43731727) is 3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol is Oc1cccc(CNc2ccc(Cl)c3ncccc23)c1.
What is the InChIKey of 3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol?
The InChIKey is WYGHARVKEJNVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-14-6-7-15(13-5-2-8-18-16(13)14)19-10-11-3-1-4-12(20)9-11/h1-9,19-20H,10H2.
What are the key properties of 3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol?
3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol has a molecular weight of 284.75 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol is sourced from PubChem (CID 43731727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).