2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C23H29NO7 — CID 2848254

IUPAC2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C23H29NO7/c1-13-18(23(26)31-12-11-27-2)19(20-15(24-13)7-6-8-16(20)25)14-9-10-17(28-3)22(30-5)21(14)29-4/h9-10,19,24H,6-8,11-12H2,1-5H3
InChIKeyOQCPDKWVQQHIGJ-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.87
Rot. Bonds8

About 2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 2848254) has the molecular formula C23H29NO7 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID2848254
Molecular FormulaC23H29NO7
Molecular Weight431.49 g/mol
Exact Mass431.19
IUPAC Name2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C23H29NO7/c1-13-18(23(26)31-12-11-27-2)19(20-15(24-13)7-6-8-16(20)25)14-9-10-17(28-3)22(30-5)21(14)29-4/h9-10,19,24H,6-8,11-12H2,1-5H3
InChIKeyOQCPDKWVQQHIGJ-UHFFFAOYSA-N
XLogP2.87
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of 2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 2848254) is 2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is OQCPDKWVQQHIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO7/c1-13-18(23(26)31-12-11-27-2)19(20-15(24-13)7-6-8-16(20)25)14-9-10-17(28-3)22(30-5)21(14)29-4/h9-10,19,24H,6-8,11-12H2,1-5H3.
What are the key properties of 2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 431.49 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2848254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).