4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol

C19H13ClN2O — CID 629366

IUPAC4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
SMILESOc1ccc(Nc2ccnc3cc(Cl)ccc23)c2ccccc12
InChIInChI=1S/C19H13ClN2O/c20-12-5-6-15-17(9-10-21-18(15)11-12)22-16-7-8-19(23)14-4-2-1-3-13(14)16/h1-11,23H,(H,21,22)
InChIKeyQPVJWQKAAHOCMG-UHFFFAOYSA-N
MW320.78 g/mol
LogP5.49
Rot. Bonds2

About 4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol

4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol (PubChem CID 629366) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
PubChem CID629366
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
SMILESOc1ccc(Nc2ccnc3cc(Cl)ccc23)c2ccccc12
InChIInChI=1S/C19H13ClN2O/c20-12-5-6-15-17(9-10-21-18(15)11-12)22-16-7-8-19(23)14-4-2-1-3-13(14)16/h1-11,23H,(H,21,22)
InChIKeyQPVJWQKAAHOCMG-UHFFFAOYSA-N
XLogP5.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.78
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
CID 63765703
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate
CID 3638554
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol;dihydrochloride
CID 51071988
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
4-[(7-chloroquinolin-4-yl)amino]-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 44537303
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol?
The IUPAC name of 4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol (CID 629366) is 4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol.
What is the SMILES notation for 4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol?
The canonical SMILES for 4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol is Oc1ccc(Nc2ccnc3cc(Cl)ccc23)c2ccccc12.
What is the InChIKey of 4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol?
The InChIKey is QPVJWQKAAHOCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-12-5-6-15-17(9-10-21-18(15)11-12)22-16-7-8-19(23)14-4-2-1-3-13(14)16/h1-11,23H,(H,21,22).
What are the key properties of 4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol?
4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol has a molecular weight of 320.78 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol is sourced from PubChem (CID 629366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).