2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol

C16H12ClFN2O2 — CID 22646633

IUPAC2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol
SMILESCOc1cc2nc(Nc3ccc(Cl)cc3F)ccc2cc1O
InChIInChI=1S/C16H12ClFN2O2/c1-22-15-8-13-9(6-14(15)21)2-5-16(20-13)19-12-4-3-10(17)7-11(12)18/h2-8,21H,1H3,(H,19,20)
InChIKeyDNWYMFQUMHVZGY-UHFFFAOYSA-N
MW318.74 g/mol
LogP4.49
Rot. Bonds3

About 2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol

2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol (PubChem CID 22646633) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol.

Molecular Properties

Compound Name2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol
PubChem CID22646633
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol
SMILESCOc1cc2nc(Nc3ccc(Cl)cc3F)ccc2cc1O
InChIInChI=1S/C16H12ClFN2O2/c1-22-15-8-13-9(6-14(15)21)2-5-16(20-13)19-12-4-3-10(17)7-11(12)18/h2-8,21H,1H3,(H,19,20)
InChIKeyDNWYMFQUMHVZGY-UHFFFAOYSA-N
XLogP4.49
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine
CID 54954761
methyl 6-(4-chloro-2-fluoroanilino)pyrazine-2-carboxylate
CID 66451231
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
6-N-(4-chloro-2-fluorophenyl)pyridine-2,6-diamine
CID 80653049
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930365
ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate
CID 164899920
N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine
CID 164899925
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846
N-(5-chloro-2-methylphenyl)quinolin-2-amine
CID 82536306
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904430
N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728823
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol?
The IUPAC name of 2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol (CID 22646633) is 2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol.
What is the SMILES notation for 2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol?
The canonical SMILES for 2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol is COc1cc2nc(Nc3ccc(Cl)cc3F)ccc2cc1O.
What is the InChIKey of 2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol?
The InChIKey is DNWYMFQUMHVZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c1-22-15-8-13-9(6-14(15)21)2-5-16(20-13)19-12-4-3-10(17)7-11(12)18/h2-8,21H,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol?
2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol has a molecular weight of 318.74 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol is sourced from PubChem (CID 22646633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).