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

C22H26N2O4 — CID 2811423

IUPACmethyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccccc1N1CCOCC1
InChIInChI=1S/C22H26N2O4/c1-14-19(22(26)27-2)20(21-16(23-14)7-5-9-18(21)25)15-6-3-4-8-17(15)24-10-12-28-13-11-24/h3-4,6,8,20,23H,5,7,9-13H2,1-2H3
InChIKeyIVXPEKATHAUKJA-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.66
Rot. Bonds3

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

methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 2811423) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID2811423
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccccc1N1CCOCC1
InChIInChI=1S/C22H26N2O4/c1-14-19(22(26)27-2)20(21-16(23-14)7-5-9-18(21)25)15-6-3-4-8-17(15)24-10-12-28-13-11-24/h3-4,6,8,20,23H,5,7,9-13H2,1-2H3
InChIKeyIVXPEKATHAUKJA-UHFFFAOYSA-N
XLogP2.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 2811423) is methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccccc1N1CCOCC1.
What is the InChIKey of methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is IVXPEKATHAUKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14-19(22(26)27-2)20(21-16(23-14)7-5-9-18(21)25)15-6-3-4-8-17(15)24-10-12-28-13-11-24/h3-4,6,8,20,23H,5,7,9-13H2,1-2H3.
What are the key properties of methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-morpholin-4-ylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2811423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).