1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol

C20H18FNO2 — CID 67967694

IUPAC1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol
SMILESC=C(O)c1ccc2nc(C)c(C)c(-c3c(F)cccc3OC)c2c1
InChIInChI=1S/C20H18FNO2/c1-11-12(2)22-17-9-8-14(13(3)23)10-15(17)19(11)20-16(21)6-5-7-18(20)24-4/h5-10,23H,3H2,1-2,4H3
InChIKeyUHUVNMGPGWBAMJ-UHFFFAOYSA-N
MW323.37 g/mol
LogP5.20
Rot. Bonds3

About 1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol

1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol (PubChem CID 67967694) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol.

Molecular Properties

Compound Name1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol
PubChem CID67967694
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol
SMILESC=C(O)c1ccc2nc(C)c(C)c(-c3c(F)cccc3OC)c2c1
InChIInChI=1S/C20H18FNO2/c1-11-12(2)22-17-9-8-14(13(3)23)10-15(17)19(11)20-16(21)6-5-7-18(20)24-4/h5-10,23H,3H2,1-2,4H3
InChIKeyUHUVNMGPGWBAMJ-UHFFFAOYSA-N
XLogP5.20
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.37
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinoline-6-carboxamide
CID 67962013
N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide
CID 67961470
N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide
CID 67961486
2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470295
7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine
CID 65434083
2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline
CID 169418540
7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
CID 59837689
9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 69240176
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
CID 103996653
1-(2,3-dimethylquinoxalin-6-yl)ethenamine
CID 142028835
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol?
The IUPAC name of 1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol (CID 67967694) is 1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol.
What is the SMILES notation for 1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol?
The canonical SMILES for 1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol is C=C(O)c1ccc2nc(C)c(C)c(-c3c(F)cccc3OC)c2c1.
What is the InChIKey of 1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol?
The InChIKey is UHUVNMGPGWBAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-11-12(2)22-17-9-8-14(13(3)23)10-15(17)19(11)20-16(21)6-5-7-18(20)24-4/h5-10,23H,3H2,1-2,4H3.
What are the key properties of 1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol?
1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol has a molecular weight of 323.37 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-6-methoxyphenyl)-2,3-dimethylquinolin-6-yl]ethenol is sourced from PubChem (CID 67967694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).