3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid

C22H16FN3O3 — CID 70659650

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2o1
InChIInChI=1S/C22H16FN3O3/c23-15-9-7-14(8-10-15)19-20(25-21-16(24-19)12-18(29-21)22(27)28)26-11-3-5-13-4-1-2-6-17(13)26/h1-2,4,6-10,12H,3,5,11H2,(H,27,28)
InChIKeyZBMWXXMILUMLGZ-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.81
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid

3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 70659650) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
PubChem CID70659650
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2o1
InChIInChI=1S/C22H16FN3O3/c23-15-9-7-14(8-10-15)19-20(25-21-16(24-19)12-18(29-21)22(27)28)26-11-3-5-13-4-1-2-6-17(13)26/h1-2,4,6-10,12H,3,5,11H2,(H,27,28)
InChIKeyZBMWXXMILUMLGZ-UHFFFAOYSA-N
XLogP4.81
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid (CID 70659650) is 3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2o1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is ZBMWXXMILUMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c23-15-9-7-14(8-10-15)19-20(25-21-16(24-19)12-18(29-21)22(27)28)26-11-3-5-13-4-1-2-6-17(13)26/h1-2,4,6-10,12H,3,5,11H2,(H,27,28).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 389.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 70659650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).