3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one

C21H20FNO3 — CID 55881647

IUPAC3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one
SMILESCc1cc(F)c2c(c1)CCCN2C(=O)C1(C)Cc2ccccc2C(=O)O1
InChIInChI=1S/C21H20FNO3/c1-13-10-14-7-5-9-23(18(14)17(22)11-13)20(25)21(2)12-15-6-3-4-8-16(15)19(24)26-21/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3
InChIKeyDKEOMSXOGRJAGW-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.59
Rot. Bonds1

About 3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one

3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one (PubChem CID 55881647) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one.

Molecular Properties

Compound Name3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one
PubChem CID55881647
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one
SMILESCc1cc(F)c2c(c1)CCCN2C(=O)C1(C)Cc2ccccc2C(=O)O1
InChIInChI=1S/C21H20FNO3/c1-13-10-14-7-5-9-23(18(14)17(22)11-13)20(25)21(2)12-15-6-3-4-8-16(15)19(24)26-21/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3
InChIKeyDKEOMSXOGRJAGW-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one?
The IUPAC name of 3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one (CID 55881647) is 3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one.
What is the SMILES notation for 3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one?
The canonical SMILES for 3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one is Cc1cc(F)c2c(c1)CCCN2C(=O)C1(C)Cc2ccccc2C(=O)O1.
What is the InChIKey of 3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one?
The InChIKey is DKEOMSXOGRJAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-13-10-14-7-5-9-23(18(14)17(22)11-13)20(25)21(2)12-15-6-3-4-8-16(15)19(24)26-21/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3.
What are the key properties of 3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one?
3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one has a molecular weight of 353.39 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one is sourced from PubChem (CID 55881647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).