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

C16H19FN2O3 — CID 110883093

IUPAC7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NC2CCC(O)CC2)c2ccc(F)cc2N1
InChIInChI=1S/C16H19FN2O3/c17-9-1-6-12-13(8-15(21)19-14(12)7-9)16(22)18-10-2-4-11(20)5-3-10/h1,6-7,10-11,13,20H,2-5,8H2,(H,18,22)(H,19,21)
InChIKeyCPGNTGTZEWQBBZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.67
Rot. Bonds2

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

7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 110883093) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID110883093
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NC2CCC(O)CC2)c2ccc(F)cc2N1
InChIInChI=1S/C16H19FN2O3/c17-9-1-6-12-13(8-15(21)19-14(12)7-9)16(22)18-10-2-4-11(20)5-3-10/h1,6-7,10-11,13,20H,2-5,8H2,(H,18,22)(H,19,21)
InChIKeyCPGNTGTZEWQBBZ-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 110883093) is 7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NC2CCC(O)CC2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is CPGNTGTZEWQBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c17-9-1-6-12-13(8-15(21)19-14(12)7-9)16(22)18-10-2-4-11(20)5-3-10/h1,6-7,10-11,13,20H,2-5,8H2,(H,18,22)(H,19,21).
What are the key properties of 7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 110883093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).