3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid

C25H18FN5O2 — CID 70645781

IUPAC3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4ccc(F)cc43)nc2c1
InChIInChI=1S/C25H18FN5O2/c26-18-6-3-14-2-1-9-31(22(14)12-18)24-23(15-4-7-19-17(10-15)13-27-30-19)28-20-8-5-16(25(32)33)11-21(20)29-24/h3-8,10-13H,1-2,9H2,(H,27,30)(H,32,33)
InChIKeyGCOVYRJLJDQZES-UHFFFAOYSA-N
MW439.45 g/mol
LogP5.09
Rot. Bonds3

About 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid

3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid (PubChem CID 70645781) has the molecular formula C25H18FN5O2 and a molecular weight of 439.45 g/mol. Its IUPAC name is 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
PubChem CID70645781
Molecular FormulaC25H18FN5O2
Molecular Weight439.45 g/mol
Exact Mass439.14
IUPAC Name3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4ccc(F)cc43)nc2c1
InChIInChI=1S/C25H18FN5O2/c26-18-6-3-14-2-1-9-31(22(14)12-18)24-23(15-4-7-19-17(10-15)13-27-30-19)28-20-8-5-16(25(32)33)11-21(20)29-24/h3-8,10-13H,1-2,9H2,(H,27,30)(H,32,33)
InChIKeyGCOVYRJLJDQZES-UHFFFAOYSA-N
XLogP5.09
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.45
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid (CID 70645781) is 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4ccc(F)cc43)nc2c1.
What is the InChIKey of 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
The InChIKey is GCOVYRJLJDQZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O2/c26-18-6-3-14-2-1-9-31(22(14)12-18)24-23(15-4-7-19-17(10-15)13-27-30-19)28-20-8-5-16(25(32)33)11-21(20)29-24/h3-8,10-13H,1-2,9H2,(H,27,30)(H,32,33).
What are the key properties of 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid has a molecular weight of 439.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 70645781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).