2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol

C19H18FN3O — CID 24732964

IUPAC2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol
SMILESOC(CN1CCc2nc3ccncc3cc2C1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c20-16-3-1-13(2-4-16)19(24)12-23-8-6-18-15(11-23)9-14-10-21-7-5-17(14)22-18/h1-5,7,9-10,19,24H,6,8,11-12H2
InChIKeyYVDFHWQCGBQPOE-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.86
Rot. Bonds3

About 2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol

2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol (PubChem CID 24732964) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol
PubChem CID24732964
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol
SMILESOC(CN1CCc2nc3ccncc3cc2C1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c20-16-3-1-13(2-4-16)19(24)12-23-8-6-18-15(11-23)9-14-10-21-7-5-17(14)22-18/h1-5,7,9-10,19,24H,6,8,11-12H2
InChIKeyYVDFHWQCGBQPOE-UHFFFAOYSA-N
XLogP2.86
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol (CID 24732964) is 2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol is OC(CN1CCc2nc3ccncc3cc2C1)c1ccc(F)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol?
The InChIKey is YVDFHWQCGBQPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-3-1-13(2-4-16)19(24)12-23-8-6-18-15(11-23)9-14-10-21-7-5-17(14)22-18/h1-5,7,9-10,19,24H,6,8,11-12H2.
What are the key properties of 2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol?
2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol has a molecular weight of 323.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 24732964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).