(1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

C17H18N2O5 — CID 91517821

IUPAC(1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESNC(=O)C1(OC(=O)c2c(O)c3ccccc3[nH]c2=O)CCCCC1
InChIInChI=1S/C17H18N2O5/c18-16(23)17(8-4-1-5-9-17)24-15(22)12-13(20)10-6-2-3-7-11(10)19-14(12)21/h2-3,6-7H,1,4-5,8-9H2,(H2,18,23)(H2,19,20,21)
InChIKeyDLLGFWIOXGDHTM-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.58
Rot. Bonds3

About (1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

(1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 91517821) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name(1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID91517821
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESNC(=O)C1(OC(=O)c2c(O)c3ccccc3[nH]c2=O)CCCCC1
InChIInChI=1S/C17H18N2O5/c18-16(23)17(8-4-1-5-9-17)24-15(22)12-13(20)10-6-2-3-7-11(10)19-14(12)21/h2-3,6-7H,1,4-5,8-9H2,(H2,18,23)(H2,19,20,21)
InChIKeyDLLGFWIOXGDHTM-UHFFFAOYSA-N
XLogP1.58
TPSA122.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of (1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (CID 91517821) is (1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for (1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for (1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is NC(=O)C1(OC(=O)c2c(O)c3ccccc3[nH]c2=O)CCCCC1.
What is the InChIKey of (1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is DLLGFWIOXGDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c18-16(23)17(8-4-1-5-9-17)24-15(22)12-13(20)10-6-2-3-7-11(10)19-14(12)21/h2-3,6-7H,1,4-5,8-9H2,(H2,18,23)(H2,19,20,21).
What are the key properties of (1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
(1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclohexyl) 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 91517821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).