4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid

C16H18N2O4 — CID 140855459

IUPAC4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)c(=O)[nH]c2cccc(OC3CCCCC3)c12
InChIInChI=1S/C16H18N2O4/c17-14-12-10(18-15(19)13(14)16(20)21)7-4-8-11(12)22-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,20,21)(H3,17,18,19)
InChIKeyKKZNOASCLBTKME-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.52
Rot. Bonds3

About 4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid

4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 140855459) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID140855459
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)c(=O)[nH]c2cccc(OC3CCCCC3)c12
InChIInChI=1S/C16H18N2O4/c17-14-12-10(18-15(19)13(14)16(20)21)7-4-8-11(12)22-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,20,21)(H3,17,18,19)
InChIKeyKKZNOASCLBTKME-UHFFFAOYSA-N
XLogP2.52
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 140855459) is 4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid is Nc1c(C(=O)O)c(=O)[nH]c2cccc(OC3CCCCC3)c12.
What is the InChIKey of 4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is KKZNOASCLBTKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c17-14-12-10(18-15(19)13(14)16(20)21)7-4-8-11(12)22-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,20,21)(H3,17,18,19).
What are the key properties of 4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid?
4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclohexyloxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 140855459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).