1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one

C14H14N2O4 — CID 54710445

IUPAC1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(O)c2ccccc2n1C1CCCC1
InChIInChI=1S/C14H14N2O4/c17-13-10-7-3-4-8-11(10)15(9-5-1-2-6-9)14(18)12(13)16(19)20/h3-4,7-9,17H,1-2,5-6H2
InChIKeyPAQLRBDWJZPAAQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.73
Rot. Bonds2

About 1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one

1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one (PubChem CID 54710445) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one
PubChem CID54710445
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(O)c2ccccc2n1C1CCCC1
InChIInChI=1S/C14H14N2O4/c17-13-10-7-3-4-8-11(10)15(9-5-1-2-6-9)14(18)12(13)16(19)20/h3-4,7-9,17H,1-2,5-6H2
InChIKeyPAQLRBDWJZPAAQ-UHFFFAOYSA-N
XLogP2.73
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one?
The IUPAC name of 1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one (CID 54710445) is 1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one?
The canonical SMILES for 1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one is O=c1c([N+](=O)[O-])c(O)c2ccccc2n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one?
The InChIKey is PAQLRBDWJZPAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13-10-7-3-4-8-11(10)15(9-5-1-2-6-9)14(18)12(13)16(19)20/h3-4,7-9,17H,1-2,5-6H2.
What are the key properties of 1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one?
1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one has a molecular weight of 274.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one is sourced from PubChem (CID 54710445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).