3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid

C24H19N3O2 — CID 50991018

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCc4ccccc43)nc2c1
InChIInChI=1S/C24H19N3O2/c28-24(29)18-12-13-19-20(15-18)26-23(22(25-19)17-8-2-1-3-9-17)27-14-6-10-16-7-4-5-11-21(16)27/h1-5,7-9,11-13,15H,6,10,14H2,(H,28,29)
InChIKeyQNTAFDGTGJMGAA-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.08
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid

3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 50991018) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
PubChem CID50991018
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCc4ccccc43)nc2c1
InChIInChI=1S/C24H19N3O2/c28-24(29)18-12-13-19-20(15-18)26-23(22(25-19)17-8-2-1-3-9-17)27-14-6-10-16-7-4-5-11-21(16)27/h1-5,7-9,11-13,15H,6,10,14H2,(H,28,29)
InChIKeyQNTAFDGTGJMGAA-UHFFFAOYSA-N
XLogP5.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid (CID 50991018) is 3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCc4ccccc43)nc2c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is QNTAFDGTGJMGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-24(29)18-12-13-19-20(15-18)26-23(22(25-19)17-8-2-1-3-9-17)27-14-6-10-16-7-4-5-11-21(16)27/h1-5,7-9,11-13,15H,6,10,14H2,(H,28,29).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 381.44 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50991018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).