3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride

C15H12Cl2N2O — CID 24884898

IUPAC3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
SMILESCl.Oc1cccc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C15H11ClN2O.ClH/c16-10-4-5-13-14(6-7-17-15(13)8-10)18-11-2-1-3-12(19)9-11;/h1-9,19H,(H,17,18);1H
InChIKeyCFDLXKULBJIEBQ-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.76
Rot. Bonds2

About 3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride

3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride (PubChem CID 24884898) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
PubChem CID24884898
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
SMILESCl.Oc1cccc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C15H11ClN2O.ClH/c16-10-4-5-13-14(6-7-17-15(13)8-10)18-11-2-1-3-12(19)9-11;/h1-9,19H,(H,17,18);1H
InChIKeyCFDLXKULBJIEBQ-UHFFFAOYSA-N
XLogP4.76
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol
CID 44532315
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366
3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride
CID 44532307
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol;dihydrochloride
CID 51071988
4-(3-nitroanilino)quinolin-7-ol
CID 137246319
4-[(7-chloroquinolin-4-yl)amino]-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 44537303
N-[3-[(1S)-1-[bis(2-chloroethyl)amino]ethyl]phenyl]-7-chloroquinolin-4-amine
CID 98505185

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride?
The IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride (CID 24884898) is 3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride.
What is the SMILES notation for 3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride?
The canonical SMILES for 3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride is Cl.Oc1cccc(Nc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of 3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride?
The InChIKey is CFDLXKULBJIEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O.ClH/c16-10-4-5-13-14(6-7-17-15(13)8-10)18-11-2-1-3-12(19)9-11;/h1-9,19H,(H,17,18);1H.
What are the key properties of 3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride?
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride has a molecular weight of 307.18 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride is sourced from PubChem (CID 24884898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).