ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine

C26H34N2O5 — CID 19032350

IUPACethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine
SMILESCCNCC.CCOC(=O)c1c(C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1
InChIInChI=1S/C22H23NO5.C4H11N/c1-6-28-22(24)20-13(2)23-17-12-19(27-5)18(26-4)11-16(17)21(20)14-7-9-15(25-3)10-8-14;1-3-5-4-2/h7-12H,6H2,1-5H3;5H,3-4H2,1-2H3
InChIKeyQTSGKLFLHIDCCN-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.03
Rot. Bonds8

About ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine

ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine (PubChem CID 19032350) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine.

Molecular Properties

Compound Nameethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine
PubChem CID19032350
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Nameethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine
SMILESCCNCC.CCOC(=O)c1c(C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1
InChIInChI=1S/C22H23NO5.C4H11N/c1-6-28-22(24)20-13(2)23-17-12-19(27-5)18(26-4)11-16(17)21(20)14-7-9-15(25-3)10-8-14;1-3-5-4-2/h7-12H,6H2,1-5H3;5H,3-4H2,1-2H3
InChIKeyQTSGKLFLHIDCCN-UHFFFAOYSA-N
XLogP5.03
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine with MolForge

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Related Compounds

ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate
CID 15870080
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate
CID 19032367
diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
CID 135122096
ethyl 2-(2-bromoethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate
CID 11799673
ethyl 2-methyl-4-phenyl-6-(trifluoromethoxy)quinoline-3-carboxylate
CID 2135923
diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 11291749
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxyquinoline-3-carboxylate
CID 10719290
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 139241108
diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232519
ethyl 6,7-dimethoxy-4-(3-methoxy-4-propan-2-yloxyphenyl)-2-(1,2,4-triazol-4-ylmethyl)quinoline-3-carboxylate
CID 22097591

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine?
The IUPAC name of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine (CID 19032350) is ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine.
What is the SMILES notation for ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine?
The canonical SMILES for ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine is CCNCC.CCOC(=O)c1c(C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine?
The InChIKey is QTSGKLFLHIDCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5.C4H11N/c1-6-28-22(24)20-13(2)23-17-12-19(27-5)18(26-4)11-16(17)21(20)14-7-9-15(25-3)10-8-14;1-3-5-4-2/h7-12H,6H2,1-5H3;5H,3-4H2,1-2H3.
What are the key properties of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine?
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine has a molecular weight of 454.57 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine is sourced from PubChem (CID 19032350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).