2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol

C17H15FN2O — CID 135609769

IUPAC2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol
SMILESCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1F
InChIInChI=1S/C17H15FN2O/c1-10-3-4-12(8-15(10)18)19-17-7-11(2)14-6-5-13(21)9-16(14)20-17/h3-9,21H,1-2H3,(H,19,20)
InChIKeyNGVBBOAYHBAUSE-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.44
Rot. Bonds2

About 2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol

2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol (PubChem CID 135609769) 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-7-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol
PubChem CID135609769
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol
SMILESCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1F
InChIInChI=1S/C17H15FN2O/c1-10-3-4-12(8-15(10)18)19-17-7-11(2)14-6-5-13(21)9-16(14)20-17/h3-9,21H,1-2H3,(H,19,20)
InChIKeyNGVBBOAYHBAUSE-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-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
4-methyl-N-phenylquinolin-2-amine
CID 616278
ethane;4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 143338862
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
2-(3,4-dimethylanilino)quinolin-5-ol
CID 142739435
5-[[2-(3-fluoro-4-methylanilino)pyrimidin-4-yl]amino]-2-methylphenol
CID 44532553
2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride
CID 135472794
N-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 53414490
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-N,2-diethyl-4-N-(3-fluoro-4-methylphenyl)pyrimidine-4,6-diamine
CID 80933754
2-chloro-6-(3-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 83074701
4-N-(3-fluoro-4-methylphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80750621

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol (CID 135609769) is 2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol is Cc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol?
The InChIKey is NGVBBOAYHBAUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-3-4-12(8-15(10)18)19-17-7-11(2)14-6-5-13(21)9-16(14)20-17/h3-9,21H,1-2H3,(H,19,20).
What are the key properties of 2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol?
2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-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-7-ol is sourced from PubChem (CID 135609769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).