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

C23H26FNO3 — CID 2847324

IUPACcyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OC2CCCCC2)C(c2cccc(F)c2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H26FNO3/c1-14-20(23(27)28-17-9-3-2-4-10-17)21(15-7-5-8-16(24)13-15)22-18(25-14)11-6-12-19(22)26/h5,7-8,13,17,21,25H,2-4,6,9-12H2,1H3
InChIKeyWMORBABSTMFSBY-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.67
Rot. Bonds3

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

cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 2847324) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID2847324
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Namecyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OC2CCCCC2)C(c2cccc(F)c2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H26FNO3/c1-14-20(23(27)28-17-9-3-2-4-10-17)21(15-7-5-8-16(24)13-15)22-18(25-14)11-6-12-19(22)26/h5,7-8,13,17,21,25H,2-4,6,9-12H2,1H3
InChIKeyWMORBABSTMFSBY-UHFFFAOYSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 2847324) is cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CC1=C(C(=O)OC2CCCCC2)C(c2cccc(F)c2)C2=C(CCCC2=O)N1.
What is the InChIKey of cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is WMORBABSTMFSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-14-20(23(27)28-17-9-3-2-4-10-17)21(15-7-5-8-16(24)13-15)22-18(25-14)11-6-12-19(22)26/h5,7-8,13,17,21,25H,2-4,6,9-12H2,1H3.
What are the key properties of cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 383.46 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2847324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).