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

C22H27NO4 — CID 625400

IUPACcyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OC2CCCCC2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H27NO4/c1-13-11-12-18(26-13)21-19(22(25)27-15-7-4-3-5-8-15)14(2)23-16-9-6-10-17(24)20(16)21/h11-12,15,21,23H,3-10H2,1-2H3
InChIKeyGZNGAPVLRSUKMU-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.43
Rot. Bonds3

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

cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 625400) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID625400
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Namecyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OC2CCCCC2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H27NO4/c1-13-11-12-18(26-13)21-19(22(25)27-15-7-4-3-5-8-15)14(2)23-16-9-6-10-17(24)20(16)21/h11-12,15,21,23H,3-10H2,1-2H3
InChIKeyGZNGAPVLRSUKMU-UHFFFAOYSA-N
XLogP4.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 625400) is cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CC1=C(C(=O)OC2CCCCC2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1.
What is the InChIKey of cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is GZNGAPVLRSUKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-13-11-12-18(26-13)21-19(22(25)27-15-7-4-3-5-8-15)14(2)23-16-9-6-10-17(24)20(16)21/h11-12,15,21,23H,3-10H2,1-2H3.
What are the key properties of cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 625400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).