cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C23H29NO4 — CID 2920143

IUPACcycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OC2CCCCCC2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H29NO4/c1-14-12-13-19(27-14)22-20(23(26)28-16-8-5-3-4-6-9-16)15(2)24-17-10-7-11-18(25)21(17)22/h12-13,16,22,24H,3-11H2,1-2H3
InChIKeyVCMAIUUZPHYLHO-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.82
Rot. Bonds3

About cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 2920143) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namecycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID2920143
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namecycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OC2CCCCCC2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H29NO4/c1-14-12-13-19(27-14)22-20(23(26)28-16-8-5-3-4-6-9-16)15(2)24-17-10-7-11-18(25)21(17)22/h12-13,16,22,24H,3-11H2,1-2H3
InChIKeyVCMAIUUZPHYLHO-UHFFFAOYSA-N
XLogP4.82
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-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 cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 2920143) is cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CC1=C(C(=O)OC2CCCCCC2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1.
What is the InChIKey of cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is VCMAIUUZPHYLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-14-12-13-19(27-14)22-20(23(26)28-16-8-5-3-4-6-9-16)15(2)24-17-10-7-11-18(25)21(17)22/h12-13,16,22,24H,3-11H2,1-2H3.
What are the key properties of cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2920143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).