3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one

C25H21FN2O3 — CID 71838211

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one
SMILESCc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C25H21FN2O3/c1-16-22(25(30)28-13-6-9-17-7-3-5-11-20(17)28)23-21(31-16)12-14-27(24(23)29)15-18-8-2-4-10-19(18)26/h2-5,7-8,10-12,14H,6,9,13,15H2,1H3
InChIKeyMJRKUSMEWCOLNE-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.68
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one (PubChem CID 71838211) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one
PubChem CID71838211
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one
SMILESCc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C25H21FN2O3/c1-16-22(25(30)28-13-6-9-17-7-3-5-11-20(17)28)23-21(31-16)12-14-27(24(23)29)15-18-8-2-4-10-19(18)26/h2-5,7-8,10-12,14H,6,9,13,15H2,1H3
InChIKeyMJRKUSMEWCOLNE-UHFFFAOYSA-N
XLogP4.68
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one (CID 71838211) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one is Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one?
The InChIKey is MJRKUSMEWCOLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-16-22(25(30)28-13-6-9-17-7-3-5-11-20(17)28)23-21(31-16)12-14-27(24(23)29)15-18-8-2-4-10-19(18)26/h2-5,7-8,10-12,14H,6,9,13,15H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one has a molecular weight of 416.45 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 71838211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).