ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate

C24H24N4O5 — CID 15870080

IUPACethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cn2cncn2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1
InChIInChI=1S/C24H24N4O5/c1-5-33-24(29)23-19(12-28-14-25-13-26-28)27-18-11-21(32-4)20(31-3)10-17(18)22(23)15-6-8-16(30-2)9-7-15/h6-11,13-14H,5,12H2,1-4H3
InChIKeyODDGYGKQBBBPCW-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.74
Rot. Bonds8

About ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate

ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate (PubChem CID 15870080) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate
PubChem CID15870080
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Nameethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cn2cncn2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1
InChIInChI=1S/C24H24N4O5/c1-5-33-24(29)23-19(12-28-14-25-13-26-28)27-18-11-21(32-4)20(31-3)10-17(18)22(23)15-6-8-16(30-2)9-7-15/h6-11,13-14H,5,12H2,1-4H3
InChIKeyODDGYGKQBBBPCW-UHFFFAOYSA-N
XLogP3.74
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate with MolForge

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Related Compounds

Tak-603
CID 153980
2-benzyl-5-[3-fluoro-4-({6-methoxy-7-[3-(1H-1,2,4-triazol-1-yl)propoxy]quinolin-4-yl}oxy)phenyl]-3-methyl-3,4-dihydropyrimidin-4-one
CID 11858029
Ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate
CID 134149052
Ethyl 6,7-dimethoxy-4-(3,4-dimethoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfinylmethyl]quinoline-3-carboxylate
CID 9828701
Ethyl 6,7-dimethoxy-4-(3,4-dimethoxyphenyl)-2-[2-(1-methylimidazol-2-yl)ethyl]quinoline-3-carboxylate
CID 9957824
Ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[3-(1,2,4-triazol-1-yl)propyl]quinoline-3-carboxylate
CID 10505758
Ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate
CID 10553215
Ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfonylmethyl]quinoline-3-carboxylate
CID 10578682
Ethyl 2-[(1-ethylimidazol-2-yl)thiomethyl]-6,7-dimethoxy-4-(3,4-dimethoxyphenyl)quinoline-3-carboxylate
CID 10626209
Ethyl 4-(3,4-dimethoxyphenyl)-6,7-diethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate
CID 10626517
Ethyl 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate
CID 10673201
Ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate
CID 10697388

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate?
The IUPAC name of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate (CID 15870080) is ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate is CCOC(=O)c1c(Cn2cncn2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate?
The InChIKey is ODDGYGKQBBBPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-5-33-24(29)23-19(12-28-14-25-13-26-28)27-18-11-21(32-4)20(31-3)10-17(18)22(23)15-6-8-16(30-2)9-7-15/h6-11,13-14H,5,12H2,1-4H3.
What are the key properties of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate?
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate has a molecular weight of 448.48 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate is sourced from PubChem (CID 15870080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).