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

C25H19FN4 — CID 150226086

IUPAC3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline
SMILESFc1ccc2c(c1)CCCN2c1cc2ccccc2nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C25H19FN4/c26-20-8-10-23-17(13-20)5-3-11-30(23)24-14-16-4-1-2-6-21(16)28-25(24)18-7-9-22-19(12-18)15-27-29-22/h1-2,4,6-10,12-15H,3,5,11H2,(H,27,29)
InChIKeyFUMLMKATGLRQTA-UHFFFAOYSA-N
MW394.45 g/mol
LogP6.00
Rot. Bonds2

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

3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline (PubChem CID 150226086) has the molecular formula C25H19FN4 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline.

Molecular Properties

Compound Name3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline
PubChem CID150226086
Molecular FormulaC25H19FN4
Molecular Weight394.45 g/mol
Exact Mass394.16
IUPAC Name3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline
SMILESFc1ccc2c(c1)CCCN2c1cc2ccccc2nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C25H19FN4/c26-20-8-10-23-17(13-20)5-3-11-30(23)24-14-16-4-1-2-6-21(16)28-25(24)18-7-9-22-19(12-18)15-27-29-22/h1-2,4,6-10,12-15H,3,5,11H2,(H,27,29)
InChIKeyFUMLMKATGLRQTA-UHFFFAOYSA-N
XLogP6.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
The IUPAC name of 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline (CID 150226086) is 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline.
What is the SMILES notation for 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline?
The canonical SMILES for 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline is Fc1ccc2c(c1)CCCN2c1cc2ccccc2nc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline?
The InChIKey is FUMLMKATGLRQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4/c26-20-8-10-23-17(13-20)5-3-11-30(23)24-14-16-4-1-2-6-21(16)28-25(24)18-7-9-22-19(12-18)15-27-29-22/h1-2,4,6-10,12-15H,3,5,11H2,(H,27,29).
What are the key properties of 3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline?
3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoline has a molecular weight of 394.45 g/mol, XLogP of 6.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 150226086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).