3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid

C17H18N2O4 — CID 10018505

IUPAC3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(C(=O)NC3CCCCC3)c(=O)c2c1
InChIInChI=1S/C17H18N2O4/c20-15-12-8-10(17(22)23)6-7-14(12)18-9-13(15)16(21)19-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,18,20)(H,19,21)(H,22,23)
InChIKeyBXFABPBZZZCLMW-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.29
Rot. Bonds3

About 3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid

3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid (PubChem CID 10018505) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid
PubChem CID10018505
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(C(=O)NC3CCCCC3)c(=O)c2c1
InChIInChI=1S/C17H18N2O4/c20-15-12-8-10(17(22)23)6-7-14(12)18-9-13(15)16(21)19-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,18,20)(H,19,21)(H,22,23)
InChIKeyBXFABPBZZZCLMW-UHFFFAOYSA-N
XLogP2.29
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The IUPAC name of 3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid (CID 10018505) is 3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid is O=C(O)c1ccc2[nH]cc(C(=O)NC3CCCCC3)c(=O)c2c1.
What is the InChIKey of 3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The InChIKey is BXFABPBZZZCLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15-12-8-10(17(22)23)6-7-14(12)18-9-13(15)16(21)19-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid?
3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 10018505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).