1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one

C19H20FNO3 — CID 110636565

IUPAC1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC(O)c3cc(F)ccc32)c1
InChIInChI=1S/C19H20FNO3/c1-24-15-4-2-3-13(11-15)5-8-19(23)21-10-9-18(22)16-12-14(20)6-7-17(16)21/h2-4,6-7,11-12,18,22H,5,8-10H2,1H3
InChIKeyRHYSMVXFWXHPHF-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.24
Rot. Bonds4

About 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one

1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one (PubChem CID 110636565) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
PubChem CID110636565
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC(O)c3cc(F)ccc32)c1
InChIInChI=1S/C19H20FNO3/c1-24-15-4-2-3-13(11-15)5-8-19(23)21-10-9-18(22)16-12-14(20)6-7-17(16)21/h2-4,6-7,11-12,18,22H,5,8-10H2,1H3
InChIKeyRHYSMVXFWXHPHF-UHFFFAOYSA-N
XLogP3.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one with MolForge

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Related Compounds

1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110636401
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110709443
1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
CID 110636690
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636661
(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609743
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636672
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 43048071
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110712924
2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636703
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one (CID 110636565) is 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one is COc1cccc(CCC(=O)N2CCC(O)c3cc(F)ccc32)c1.
What is the InChIKey of 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one?
The InChIKey is RHYSMVXFWXHPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-24-15-4-2-3-13(11-15)5-8-19(23)21-10-9-18(22)16-12-14(20)6-7-17(16)21/h2-4,6-7,11-12,18,22H,5,8-10H2,1H3.
What are the key properties of 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one?
1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one has a molecular weight of 329.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 110636565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).