ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate

C23H26N2O7 — CID 5330476

IUPACethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H26N2O7/c1-7-32-23(26)15-12-24-16-11-18(28-3)17(27-2)10-14(16)21(15)25-13-8-19(29-4)22(31-6)20(9-13)30-5/h8-12H,7H2,1-6H3,(H,24,25)
InChIKeyNSPRKBCGBIGEDX-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.20
Rot. Bonds9

About ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate

ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate (PubChem CID 5330476) has the molecular formula C23H26N2O7 and a molecular weight of 442.47 g/mol. Its IUPAC name is ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate
PubChem CID5330476
Molecular FormulaC23H26N2O7
Molecular Weight442.47 g/mol
Exact Mass442.17
IUPAC Nameethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H26N2O7/c1-7-32-23(26)15-12-24-16-11-18(28-3)17(27-2)10-14(16)21(15)25-13-8-19(29-4)22(31-6)20(9-13)30-5/h8-12H,7H2,1-6H3,(H,24,25)
InChIKeyNSPRKBCGBIGEDX-UHFFFAOYSA-N
XLogP4.20
TPSA97.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate (CID 5330476) is ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate?
The InChIKey is NSPRKBCGBIGEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O7/c1-7-32-23(26)15-12-24-16-11-18(28-3)17(27-2)10-14(16)21(15)25-13-8-19(29-4)22(31-6)20(9-13)30-5/h8-12H,7H2,1-6H3,(H,24,25).
What are the key properties of ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate?
ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate has a molecular weight of 442.47 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate is sourced from PubChem (CID 5330476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).