8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid

C25H19NO6 — CID 150124520

IUPAC8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid
SMILESCOc1c(C(=O)O)c(C(=O)O)c(OC(c2ccccc2)c2ccccc2)c2ncccc12
InChIInChI=1S/C25H19NO6/c1-31-22-17-13-8-14-26-20(17)23(19(25(29)30)18(22)24(27)28)32-21(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,21H,1H3,(H,27,28)(H,29,30)
InChIKeyDZYDCKNKRWLTKT-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.81
Rot. Bonds7

About 8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid

8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid (PubChem CID 150124520) has the molecular formula C25H19NO6 and a molecular weight of 429.43 g/mol. Its IUPAC name is 8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid.

Molecular Properties

Compound Name8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid
PubChem CID150124520
Molecular FormulaC25H19NO6
Molecular Weight429.43 g/mol
Exact Mass429.12
IUPAC Name8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid
SMILESCOc1c(C(=O)O)c(C(=O)O)c(OC(c2ccccc2)c2ccccc2)c2ncccc12
InChIInChI=1S/C25H19NO6/c1-31-22-17-13-8-14-26-20(17)23(19(25(29)30)18(22)24(27)28)32-21(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,21H,1H3,(H,27,28)(H,29,30)
InChIKeyDZYDCKNKRWLTKT-UHFFFAOYSA-N
XLogP4.81
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxyquinoline-8-carboxylic acid
CID 68774583
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;ethane
CID 142885951
ethyl 3-[8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl]benzoate
CID 142885977
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-N-methoxy-N-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 58652689
9-benzhydryloxy-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol
CID 91384854
(2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 26011285
(2R)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 26011286
methyl 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate
CID 159999123
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;methyl 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate
CID 161009202
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate;ethane
CID 142886119
7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one
CID 142818668
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821

Frequently Asked Questions

What is the IUPAC name of 8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid?
The IUPAC name of 8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid (CID 150124520) is 8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid.
What is the SMILES notation for 8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid?
The canonical SMILES for 8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid is COc1c(C(=O)O)c(C(=O)O)c(OC(c2ccccc2)c2ccccc2)c2ncccc12.
What is the InChIKey of 8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid?
The InChIKey is DZYDCKNKRWLTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO6/c1-31-22-17-13-8-14-26-20(17)23(19(25(29)30)18(22)24(27)28)32-21(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,21H,1H3,(H,27,28)(H,29,30).
What are the key properties of 8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid?
8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid has a molecular weight of 429.43 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid is sourced from PubChem (CID 150124520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).