2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol

C17H15FN2O — CID 135567046

IUPAC2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol
SMILESCc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1F
InChIInChI=1S/C17H15FN2O/c1-10-6-7-12(9-13(10)18)19-16-8-11(2)17-14(20-16)4-3-5-15(17)21/h3-9,21H,1-2H3,(H,19,20)
InChIKeyYIACXICIQWGRMA-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.44
Rot. Bonds2

About 2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol

2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol (PubChem CID 135567046) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol
PubChem CID135567046
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol
SMILESCc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1F
InChIInChI=1S/C17H15FN2O/c1-10-6-7-12(9-13(10)18)19-16-8-11(2)17-14(20-16)4-3-5-15(17)21/h3-9,21H,1-2H3,(H,19,20)
InChIKeyYIACXICIQWGRMA-UHFFFAOYSA-N
XLogP4.44
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol
CID 135609775
2-Fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol
CID 134158355
2-[(2,3-Dimethylphenyl)amino]-4-methylquinolin-5-ol
CID 135521448
3-[(2-Phenylquinazolin-4-yl)amino]phenol
CID 693197
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
4-[[2-(2-Fluorophenyl)quinazolin-4-yl]amino]phenol
CID 2174842
2-[4-[Cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol
CID 5307341
4-[4-(Tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]phenol
CID 5330925
3-[4-(Tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]phenol
CID 5330927
2-(4-Ethylanilino)-4-methylquinolin-7-ol;hydrochloride
CID 135971382
2-[2-(4-Methyl-piperazin-1-yl)-3-vinyl-quinolin-4-yl]-phenol
CID 136109175
2-[4-(2-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719253

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol (CID 135567046) is 2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol is Cc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol?
The InChIKey is YIACXICIQWGRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-6-7-12(9-13(10)18)19-16-8-11(2)17-14(20-16)4-3-5-15(17)21/h3-9,21H,1-2H3,(H,19,20).
What are the key properties of 2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol?
2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol has a molecular weight of 282.32 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylanilino)-4-methylquinolin-5-ol is sourced from PubChem (CID 135567046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).