4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

C19H20FNO4 — CID 130383098

IUPAC4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1c(C)cccc1F)CC(=O)N2
InChIInChI=1S/C19H20FNO4/c1-10-6-5-7-12(20)16(10)11-8-15(22)21-13-9-14(23-2)18(24-3)19(25-4)17(11)13/h5-7,9,11H,8H2,1-4H3,(H,21,22)
InChIKeyIZPHVRGXWLGUKL-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.63
Rot. Bonds4

About 4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 130383098) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID130383098
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1c(C)cccc1F)CC(=O)N2
InChIInChI=1S/C19H20FNO4/c1-10-6-5-7-12(20)16(10)11-8-15(22)21-13-9-14(23-2)18(24-3)19(25-4)17(11)13/h5-7,9,11H,8H2,1-4H3,(H,21,22)
InChIKeyIZPHVRGXWLGUKL-UHFFFAOYSA-N
XLogP3.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 130383098) is 4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1OC)C(c1c(C)cccc1F)CC(=O)N2.
What is the InChIKey of 4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IZPHVRGXWLGUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-10-6-5-7-12(20)16(10)11-8-15(22)21-13-9-14(23-2)18(24-3)19(25-4)17(11)13/h5-7,9,11H,8H2,1-4H3,(H,21,22).
What are the key properties of 4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 345.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 130383098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).