1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol

C17H18FNO2 — CID 102880144

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc(CN2CCC(O)c3ccccc32)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-21-13-7-6-12(15(18)10-13)11-19-9-8-17(20)14-4-2-3-5-16(14)19/h2-7,10,17,20H,8-9,11H2,1H3
InChIKeyPNYKMJDZYPZBOE-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.28
Rot. Bonds3

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol

1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 102880144) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID102880144
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc(CN2CCC(O)c3ccccc32)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-21-13-7-6-12(15(18)10-13)11-19-9-8-17(20)14-4-2-3-5-16(14)19/h2-7,10,17,20H,8-9,11H2,1H3
InChIKeyPNYKMJDZYPZBOE-UHFFFAOYSA-N
XLogP3.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337659
1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337631
1-[(2-fluoro-4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 102877727
5-[(2-fluoro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 102877852
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 106274018
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 102877946
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337680
1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337768
(4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol
CID 125494089
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110709443

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol (CID 102880144) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol is COc1ccc(CN2CCC(O)c3ccccc32)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is PNYKMJDZYPZBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-13-7-6-12(15(18)10-13)11-19-9-8-17(20)14-4-2-3-5-16(14)19/h2-7,10,17,20H,8-9,11H2,1H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 287.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 102880144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).