[2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol

C16H13ClN2O — CID 69173059

IUPAC[2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol
SMILESOCc1ccccc1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H13ClN2O/c17-12-5-6-13-15(7-8-18-16(13)9-12)19-14-4-2-1-3-11(14)10-20/h1-9,20H,10H2,(H,18,19)
InChIKeyNMXWHPJUBCZMFS-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.12
Rot. Bonds3

About [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol

[2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol (PubChem CID 69173059) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol
PubChem CID69173059
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name[2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol
SMILESOCc1ccccc1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H13ClN2O/c17-12-5-6-13-15(7-8-18-16(13)9-12)19-14-4-2-1-3-11(14)10-20/h1-9,20H,10H2,(H,18,19)
InChIKeyNMXWHPJUBCZMFS-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol 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

Amodiaquine
CID 2165
Hydroxychloroquine
CID 3652
(+-)-Desethylhydroxychloroquine
CID 71826
Amodiaquine Hydrochloride
CID 64646
Amopyroquine
CID 25194
L-741,626
CID 133633
Desethylamodiaquine
CID 122068
Tebuquine
CID 71991
5-(7-Chloroquinolin-4-ylamino)-2-diethylaminomethylphenol
CID 2166
4-((7-Chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol dihydrochloride
CID 6246
9-(Benzylimino)-6-chloro-1,2,3,4,9,10-hexahydroacridin-1-ol
CID 3025611
1-Acridinol, 1,2,3,4-tetrahydro-6-chloro-9-(((4-fluorophenyl)methyl)amino)-
CID 3025621

Frequently Asked Questions

What is the IUPAC name of [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol?
The IUPAC name of [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol (CID 69173059) is [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol is OCc1ccccc1Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol?
The InChIKey is NMXWHPJUBCZMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-5-6-13-15(7-8-18-16(13)9-12)19-14-4-2-1-3-11(14)10-20/h1-9,20H,10H2,(H,18,19).
What are the key properties of [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol?
[2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol has a molecular weight of 284.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(7-chloroquinolin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 69173059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).