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

C25H21N3O3 — CID 50991306

IUPAC3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
SMILESCOc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIInChI=1S/C25H21N3O3/c1-31-19-10-12-22-17(14-19)8-5-13-28(22)24-23(16-6-3-2-4-7-16)26-20-11-9-18(25(29)30)15-21(20)27-24/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,29,30)
InChIKeyCALMFUDXDNPGQC-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.09
Rot. Bonds4

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

3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 50991306) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
PubChem CID50991306
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
SMILESCOc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIInChI=1S/C25H21N3O3/c1-31-19-10-12-22-17(14-19)8-5-13-28(22)24-23(16-6-3-2-4-7-16)26-20-11-9-18(25(29)30)15-21(20)27-24/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,29,30)
InChIKeyCALMFUDXDNPGQC-UHFFFAOYSA-N
XLogP5.09
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Bis(4-methoxyphenyl)quinoxaline-6-carboxylic acid
CID 980312
3-(3,4-dihydroquinolin-1(2H)-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50991018
3-(Isopropyl(methyl)amino)-2-phenylquinoxaline-6-carboxylic acid
CID 50991019
3-(2-Methylpiperidin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50991022
3-(Cyclopropyl(methyl)amino)-2-phenylquinoxaline-6-carboxylic acid
CID 50991023
3-(sec-Butyl(methyl)amino)-2-phenylquinoxaline-6-carboxylic acid
CID 50991024
3-(Isopropyl(methyl)amino)-2-(3-methoxyphenyl)quinoxaline-6-carboxylic acid
CID 50991117
3-(3-Methylmorpholino)-2-phenylquinoxaline-6-carboxylic acid
CID 50991206
3-(Isopropyl(methyl)amino)-2-(4-methoxyphenyl)quinoxaline-6-carboxylic acid
CID 50991209
(S)-3-(Methyl(1-phenylethyl)amino)-2-phenylquinoxaline-6-carboxylic acid
CID 50991210
(R)-3-(sec-Butyl(methyl)amino)-2-phenylquinoxaline-6-carboxylic acid
CID 50991211
3-(Cyclopentyl(methyl)amino)-2-phenylquinoxaline-6-carboxylic acid
CID 50991309

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid (CID 50991306) is 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid is COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1.
What is the InChIKey of 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is CALMFUDXDNPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-31-19-10-12-22-17(14-19)8-5-13-28(22)24-23(16-6-3-2-4-7-16)26-20-11-9-18(25(29)30)15-21(20)27-24/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,29,30).
What are the key properties of 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 411.46 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50991306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).