1-cyclohexyl-4-oxoquinoline-3-carboxamide

C16H18N2O2 — CID 2729104

IUPAC1-cyclohexyl-4-oxoquinoline-3-carboxamide
SMILESNC(=O)c1cn(C2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C16H18N2O2/c17-16(20)13-10-18(11-6-2-1-3-7-11)14-9-5-4-8-12(14)15(13)19/h4-5,8-11H,1-3,6-7H2,(H2,17,20)
InChIKeyDFIWDFFBFHYEFQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.61
Rot. Bonds2

About 1-cyclohexyl-4-oxoquinoline-3-carboxamide

1-cyclohexyl-4-oxoquinoline-3-carboxamide (PubChem CID 2729104) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-cyclohexyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-4-oxoquinoline-3-carboxamide
PubChem CID2729104
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-cyclohexyl-4-oxoquinoline-3-carboxamide
SMILESNC(=O)c1cn(C2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C16H18N2O2/c17-16(20)13-10-18(11-6-2-1-3-7-11)14-9-5-4-8-12(14)15(13)19/h4-5,8-11H,1-3,6-7H2,(H2,17,20)
InChIKeyDFIWDFFBFHYEFQ-UHFFFAOYSA-N
XLogP2.61
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-cyclohexyl-4-oxoquinoline-3-carboxamide (CID 2729104) is 1-cyclohexyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-4-oxoquinoline-3-carboxamide is NC(=O)c1cn(C2CCCCC2)c2ccccc2c1=O.
What is the InChIKey of 1-cyclohexyl-4-oxoquinoline-3-carboxamide?
The InChIKey is DFIWDFFBFHYEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16(20)13-10-18(11-6-2-1-3-7-11)14-9-5-4-8-12(14)15(13)19/h4-5,8-11H,1-3,6-7H2,(H2,17,20).
What are the key properties of 1-cyclohexyl-4-oxoquinoline-3-carboxamide?
1-cyclohexyl-4-oxoquinoline-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 2729104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).