(3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate

C20H19NO6 — CID 154447229

IUPAC(3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate
SMILESCOc1ccc(OC(=O)c2cnc3cc(OC)c(OC)cc3c2)cc1OC
InChIInChI=1S/C20H19NO6/c1-23-16-6-5-14(9-18(16)25-3)27-20(22)13-7-12-8-17(24-2)19(26-4)10-15(12)21-11-13/h5-11H,1-4H3
InChIKeyRDUCIIVSAVGGNW-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.49
Rot. Bonds6

About (3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate

(3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate (PubChem CID 154447229) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate
PubChem CID154447229
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name(3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate
SMILESCOc1ccc(OC(=O)c2cnc3cc(OC)c(OC)cc3c2)cc1OC
InChIInChI=1S/C20H19NO6/c1-23-16-6-5-14(9-18(16)25-3)27-20(22)13-7-12-8-17(24-2)19(26-4)10-15(12)21-11-13/h5-11H,1-4H3
InChIKeyRDUCIIVSAVGGNW-UHFFFAOYSA-N
XLogP3.49
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
7-(4-chlorophenoxy)-N-hydroxy-6-methoxyquinoline-3-carboxamide
CID 58525546
[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 118547379
(3,4-dimethoxyphenyl) acetate
CID 593001
(2-acetyl-5-methoxyphenyl) 3,4-dimethoxybenzoate
CID 889085
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
[3,4-bis[(4-hydroxy-3-methoxybenzoyl)oxy]phenyl] 4-hydroxy-3-methoxybenzoate
CID 101473497
(4-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8881479
(3-formylphenyl) 3,4-dimethoxybenzoate
CID 40560630

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate?
The IUPAC name of (3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate (CID 154447229) is (3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for (3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for (3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate is COc1ccc(OC(=O)c2cnc3cc(OC)c(OC)cc3c2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate?
The InChIKey is RDUCIIVSAVGGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-23-16-6-5-14(9-18(16)25-3)27-20(22)13-7-12-8-17(24-2)19(26-4)10-15(12)21-11-13/h5-11H,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate?
(3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate has a molecular weight of 369.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate is sourced from PubChem (CID 154447229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).