methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

C19H23NO4 — CID 2847266

IUPACmethyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(C)o1
InChIInChI=1S/C19H23NO4/c1-10-6-7-14(24-10)17-15(18(22)23-5)11(2)20-12-8-19(3,4)9-13(21)16(12)17/h6-7,17,20H,8-9H2,1-5H3
InChIKeyNUNWMAFEZAJIBX-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.37
Rot. Bonds2

About methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate (PubChem CID 2847266) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
PubChem CID2847266
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(C)o1
InChIInChI=1S/C19H23NO4/c1-10-6-7-14(24-10)17-15(18(22)23-5)11(2)20-12-8-19(3,4)9-13(21)16(12)17/h6-7,17,20H,8-9H2,1-5H3
InChIKeyNUNWMAFEZAJIBX-UHFFFAOYSA-N
XLogP3.37
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate with MolForge

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Related Compounds

3,5-Diethyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 211446
3,5-Dimethyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 206197
Diallyl 4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 2891717
Diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 680018
Dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 979325
Cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 625400
2-Phenoxyethyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2872734
7-(3,4-Dimethoxy-phenyl)-2-methyl-4-(5-methyl-furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester
CID 647127
butan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3141207
Dimethyl 2,6-dimethyl-4-(5-methyl-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 698276
3-Ethyl 5-methyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 2832255
Diethyl 2,6-dimethyl-4-(5-phenyl-2-furyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CID 988228

Frequently Asked Questions

What is the IUPAC name of methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate (CID 2847266) is methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate is COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(C)o1.
What is the InChIKey of methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is NUNWMAFEZAJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-10-6-7-14(24-10)17-15(18(22)23-5)11(2)20-12-8-19(3,4)9-13(21)16(12)17/h6-7,17,20H,8-9H2,1-5H3.
What are the key properties of methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 2847266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).