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

C52H48N6O7 — CID 159554574

IUPACmethanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate
SMILESCO.COC(=O)c1ccc2nc(-c3ccccc3)c(N3CCCc4cc(OC)ccc43)nc2c1.COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIInChI=1S/C26H23N3O3.C25H21N3O3.CH4O/c1-31-20-11-13-23-18(15-20)9-6-14-29(23)25-24(17-7-4-3-5-8-17)27-21-12-10-19(26(30)32-2)16-22(21)28-25;1-31-19-10-12-22-17(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;1-2/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3;2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,29,30);2H,1H3
InChIKeyMFVAQUSSWOKOJQ-UHFFFAOYSA-N
MW868.99 g/mol
LogP9.87
Rot. Bonds8

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

methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate (PubChem CID 159554574) has the molecular formula C52H48N6O7 and a molecular weight of 868.99 g/mol. Its IUPAC name is methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate
PubChem CID159554574
Molecular FormulaC52H48N6O7
Molecular Weight868.99 g/mol
Exact Mass868.36
IUPAC Namemethanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate
SMILESCO.COC(=O)c1ccc2nc(-c3ccccc3)c(N3CCCc4cc(OC)ccc43)nc2c1.COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIInChI=1S/C26H23N3O3.C25H21N3O3.CH4O/c1-31-20-11-13-23-18(15-20)9-6-14-29(23)25-24(17-7-4-3-5-8-17)27-21-12-10-19(26(30)32-2)16-22(21)28-25;1-31-19-10-12-22-17(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;1-2/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3;2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,29,30);2H,1H3
InChIKeyMFVAQUSSWOKOJQ-UHFFFAOYSA-N
XLogP9.87
TPSA160.33 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.99
LogP ≤ 59.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate with MolForge

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Related Compounds

methyl 3-(4-methylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041699
3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(1H-indol-5-yl)quinoxaline-6-carboxylic acid
CID 70645708
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135
methyl 3-(2-methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041735
methyl 3-(4-methylsulfonylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67042359
methyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate
CID 67042109
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
CID 70645719
methyl 3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]-2-phenylquinoxaline-6-carboxylate;3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid
CID 161211896
3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid
CID 163671748
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
CID 70664630
methyl phenazine-2-carboxylate
CID 617185
methyl 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylate
CID 67041720

Frequently Asked Questions

What is the IUPAC name of methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate?
The IUPAC name of methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate (CID 159554574) is methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate.
What is the SMILES notation for methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate?
The canonical SMILES for methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate is CO.COC(=O)c1ccc2nc(-c3ccccc3)c(N3CCCc4cc(OC)ccc43)nc2c1.COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1.
What is the InChIKey of methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate?
The InChIKey is MFVAQUSSWOKOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3.C25H21N3O3.CH4O/c1-31-20-11-13-23-18(15-20)9-6-14-29(23)25-24(17-7-4-3-5-8-17)27-21-12-10-19(26(30)32-2)16-22(21)28-25;1-31-19-10-12-22-17(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;1-2/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3;2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,29,30);2H,1H3.
What are the key properties of methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate?
methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate has a molecular weight of 868.99 g/mol, XLogP of 9.87, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;methyl 3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylate is sourced from PubChem (CID 159554574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).