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

C26H19FN4O2 — CID 141340605

IUPAC3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4cc(F)ccc43)cc2c1
InChIInChI=1S/C26H19FN4O2/c27-20-5-8-23-15(12-20)2-1-9-31(23)24-13-18-11-17(26(32)33)4-6-21(18)29-25(24)16-3-7-22-19(10-16)14-28-30-22/h3-8,10-14H,1-2,9H2,(H,28,30)(H,32,33)
InChIKeyLUQRIWASBOHJSI-UHFFFAOYSA-N
MW438.46 g/mol
LogP5.70
Rot. Bonds3

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

3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid (PubChem CID 141340605) has the molecular formula C26H19FN4O2 and a molecular weight of 438.46 g/mol. Its IUPAC name is 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid
PubChem CID141340605
Molecular FormulaC26H19FN4O2
Molecular Weight438.46 g/mol
Exact Mass438.15
IUPAC Name3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4cc(F)ccc43)cc2c1
InChIInChI=1S/C26H19FN4O2/c27-20-5-8-23-15(12-20)2-1-9-31(23)24-13-18-11-17(26(32)33)4-6-21(18)29-25(24)16-3-7-22-19(10-16)14-28-30-22/h3-8,10-14H,1-2,9H2,(H,28,30)(H,32,33)
InChIKeyLUQRIWASBOHJSI-UHFFFAOYSA-N
XLogP5.70
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid?
The IUPAC name of 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid (CID 141340605) is 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid.
What is the SMILES notation for 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid?
The canonical SMILES for 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4cc(F)ccc43)cc2c1.
What is the InChIKey of 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid?
The InChIKey is LUQRIWASBOHJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O2/c27-20-5-8-23-15(12-20)2-1-9-31(23)24-13-18-11-17(26(32)33)4-6-21(18)29-25(24)16-3-7-22-19(10-16)14-28-30-22/h3-8,10-14H,1-2,9H2,(H,28,30)(H,32,33).
What are the key properties of 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid?
3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid has a molecular weight of 438.46 g/mol, XLogP of 5.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid is sourced from PubChem (CID 141340605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).