4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C18H18FNO4 — CID 169422029

IUPAC4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1cccc(OC)c1F)CC(=O)N2
InChIInChI=1S/C18H18FNO4/c1-22-10-7-13-17(15(8-10)24-3)12(9-16(21)20-13)11-5-4-6-14(23-2)18(11)19/h4-8,12H,9H2,1-3H3,(H,20,21)
InChIKeySNWKKZPNWYHVPX-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.33
Rot. Bonds4

About 4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169422029) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID169422029
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1cccc(OC)c1F)CC(=O)N2
InChIInChI=1S/C18H18FNO4/c1-22-10-7-13-17(15(8-10)24-3)12(9-16(21)20-13)11-5-4-6-14(23-2)18(11)19/h4-8,12H,9H2,1-3H3,(H,20,21)
InChIKeySNWKKZPNWYHVPX-UHFFFAOYSA-N
XLogP3.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2997112
(4R)-4-(2-ethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248757
(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 40645350
(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
4-(4-bromophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312450
(4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 95119643
5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312453
4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312454
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790
4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 130383098
1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 630483
(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 801649

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 169422029) is 4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1)C(c1cccc(OC)c1F)CC(=O)N2.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SNWKKZPNWYHVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-22-10-7-13-17(15(8-10)24-3)12(9-16(21)20-13)11-5-4-6-14(23-2)18(11)19/h4-8,12H,9H2,1-3H3,(H,20,21).
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 331.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169422029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).