ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C18H20N2O3 — CID 2845070

IUPACethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccnc1
InChIInChI=1S/C18H20N2O3/c1-3-23-18(22)15-11(2)20-13-7-4-8-14(21)17(13)16(15)12-6-5-9-19-10-12/h5-6,9-10,16,20H,3-4,7-8H2,1-2H3
InChIKeyJREFAXSHEICACK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.61
Rot. Bonds3

About ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 2845070) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID2845070
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccnc1
InChIInChI=1S/C18H20N2O3/c1-3-23-18(22)15-11(2)20-13-7-4-8-14(21)17(13)16(15)12-6-5-9-19-10-12/h5-6,9-10,16,20H,3-4,7-8H2,1-2H3
InChIKeyJREFAXSHEICACK-UHFFFAOYSA-N
XLogP2.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3',5'-Diethyl 1',4'-dihydro-2',6'-dimethyl(2,4'-bipyridine)-3',5'-dicarboxylate
CID 99955
Diethyl 1',4'-dihydro-2',6'-dimethyl-(3,4'-bipyridine)-3',5'-dicarboxylate
CID 100279
Diethyl 1,2,6-trimethyl-1,4-dihydro-4,4'-bipyridine-3,5-dicarboxylate
CID 40672
Diethyl 1',2',6'-trimethyl-1',4'-dihydro-2,4'-bipyridine-3',5'-dicarboxylate
CID 674186
Dimethyl 1,4-dihydro-4-(2-pyridinyl)-1,2,6-trimethyl-3,5-pyridinedicarboxylate
CID 714587
dimethyl 1,2,6-trimethyl-4-pyridin-4-yl-4H-pyridine-3,5-dicarboxylate
CID 742390
Dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
CID 782061
Mesudipine
CID 68817
2-methoxyethyl 2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 655012
2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 655935
diethyl 2-amino-6-methyl-4-(pyridin-3-yl)-4H-pyran-3,5-dicarboxylate
CID 658707
2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-(3-pyridinyl)-4H-pyrano[3,2-c]pyridine-3-carboxylic acid methyl ester
CID 661975

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 2845070) is ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccnc1.
What is the InChIKey of ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is JREFAXSHEICACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-18(22)15-11(2)20-13-7-4-8-14(21)17(13)16(15)12-6-5-9-19-10-12/h5-6,9-10,16,20H,3-4,7-8H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2845070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).