7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H21FN2O2 — CID 17499038

IUPAC7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC1CCC(NC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1
InChIInChI=1S/C17H21FN2O2/c1-10-2-5-12(6-3-10)19-17(22)14-9-16(21)20-15-8-11(18)4-7-13(14)15/h4,7-8,10,12,14H,2-3,5-6,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyMYFXETGILIJTRD-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.95
Rot. Bonds2

About 7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 17499038) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID17499038
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC1CCC(NC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1
InChIInChI=1S/C17H21FN2O2/c1-10-2-5-12(6-3-10)19-17(22)14-9-16(21)20-15-8-11(18)4-7-13(14)15/h4,7-8,10,12,14H,2-3,5-6,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyMYFXETGILIJTRD-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 17499038) is 7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC1CCC(NC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1.
What is the InChIKey of 7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is MYFXETGILIJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-10-2-5-12(6-3-10)19-17(22)14-9-16(21)20-15-8-11(18)4-7-13(14)15/h4,7-8,10,12,14H,2-3,5-6,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 304.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 17499038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).