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

C26H21N5O3 — CID 70645727

IUPAC2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
SMILESCOc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C26H21N5O3/c1-34-19-6-9-23-15(12-19)3-2-10-31(23)25-24(16-4-7-20-18(11-16)14-27-30-20)28-21-8-5-17(26(32)33)13-22(21)29-25/h4-9,11-14H,2-3,10H2,1H3,(H,27,30)(H,32,33)
InChIKeyLJJSKLJGPGAWIG-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.96
Rot. Bonds4

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

2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid (PubChem CID 70645727) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
PubChem CID70645727
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC Name2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
SMILESCOc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C26H21N5O3/c1-34-19-6-9-23-15(12-19)3-2-10-31(23)25-24(16-4-7-20-18(11-16)14-27-30-20)28-21-8-5-17(26(32)33)13-22(21)29-25/h4-9,11-14H,2-3,10H2,1H3,(H,27,30)(H,32,33)
InChIKeyLJJSKLJGPGAWIG-UHFFFAOYSA-N
XLogP4.96
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid (CID 70645727) is 2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid is COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
The InChIKey is LJJSKLJGPGAWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-34-19-6-9-23-15(12-19)3-2-10-31(23)25-24(16-4-7-20-18(11-16)14-27-30-20)28-21-8-5-17(26(32)33)13-22(21)29-25/h4-9,11-14H,2-3,10H2,1H3,(H,27,30)(H,32,33).
What are the key properties of 2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid has a molecular weight of 451.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 70645727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).