ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate

C24H24N4O6 — CID 135430367

IUPACethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cn2cncn2)nc2cc(O)c(OC)cc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H24N4O6/c1-5-34-24(30)23-17(11-28-13-25-12-26-28)27-16-10-18(29)20(32-3)9-15(16)22(23)14-6-7-19(31-2)21(8-14)33-4/h6-10,12-13,29H,5,11H2,1-4H3
InChIKeyLWAOAZJCAKXPQM-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.45
Rot. Bonds8

About ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate

ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate (PubChem CID 135430367) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate
PubChem CID135430367
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Nameethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cn2cncn2)nc2cc(O)c(OC)cc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H24N4O6/c1-5-34-24(30)23-17(11-28-13-25-12-26-28)27-16-10-18(29)20(32-3)9-15(16)22(23)14-6-7-19(31-2)21(8-14)33-4/h6-10,12-13,29H,5,11H2,1-4H3
InChIKeyLWAOAZJCAKXPQM-UHFFFAOYSA-N
XLogP3.45
TPSA117.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate (CID 135430367) is ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate is CCOC(=O)c1c(Cn2cncn2)nc2cc(O)c(OC)cc2c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate?
The InChIKey is LWAOAZJCAKXPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-5-34-24(30)23-17(11-28-13-25-12-26-28)27-16-10-18(29)20(32-3)9-15(16)22(23)14-6-7-19(31-2)21(8-14)33-4/h6-10,12-13,29H,5,11H2,1-4H3.
What are the key properties of ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate?
ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate has a molecular weight of 464.48 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate is sourced from PubChem (CID 135430367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).