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

C22H27NO5 — CID 2847880

IUPACpropyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(OC)c1OC
InChIInChI=1S/C22H27NO5/c1-5-12-28-22(25)18-13(2)23-15-9-7-10-16(24)20(15)19(18)14-8-6-11-17(26-3)21(14)27-4/h6,8,11,19,23H,5,7,9-10,12H2,1-4H3
InChIKeyIITJUZWHNJCPRI-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.62
Rot. Bonds6

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

propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 2847880) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namepropyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID2847880
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Namepropyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(OC)c1OC
InChIInChI=1S/C22H27NO5/c1-5-12-28-22(25)18-13(2)23-15-9-7-10-16(24)20(15)19(18)14-8-6-11-17(26-3)21(14)27-4/h6,8,11,19,23H,5,7,9-10,12H2,1-4H3
InChIKeyIITJUZWHNJCPRI-UHFFFAOYSA-N
XLogP3.62
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Oxodipine
CID 56108
Mls003115550
CID 323302
Dimethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 704158
Dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 737072
2-methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2926768
methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4638847
Diallyl 2,6-dimethyl-4-(3-phenoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CID 3623916
3,5-Bis(2-propoxyethyl) 4-(2-(difluoromethoxy)phenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 159556
SJ000025081
CID 3132463
Diethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
CID 3793564
3,5-Pyridinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4-dihydro-2,6-dimethyl-, diethyl ester
CID 982601
Diethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982665

Frequently Asked Questions

What is the IUPAC name of propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 2847880) is propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(OC)c1OC.
What is the InChIKey of propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is IITJUZWHNJCPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-5-12-28-22(25)18-13(2)23-15-9-7-10-16(24)20(15)19(18)14-8-6-11-17(26-3)21(14)27-4/h6,8,11,19,23H,5,7,9-10,12H2,1-4H3.
What are the key properties of propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2847880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).