N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C16H18N2O3 — CID 54680105

IUPACN-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H18N2O3/c19-14-11-8-4-5-9-12(11)18-16(21)13(14)15(20)17-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,20)(H2,18,19,21)
InChIKeyMZELJDKERIRFIU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.30
Rot. Bonds2

About N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54680105) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54680105
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H18N2O3/c19-14-11-8-4-5-9-12(11)18-16(21)13(14)15(20)17-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,20)(H2,18,19,21)
InChIKeyMZELJDKERIRFIU-UHFFFAOYSA-N
XLogP2.30
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54680105) is N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is O=C(NC1CCCCC1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MZELJDKERIRFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-11-8-4-5-9-12(11)18-16(21)13(14)15(20)17-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,20)(H2,18,19,21).
What are the key properties of N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54680105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).