6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile

C17H12N4O5 — CID 102313247

IUPAC6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCn1c(=O)c(-c2[nH]c(=O)c(C#N)cc2[N+](=O)[O-])c(O)c2ccccc21
InChIInChI=1S/C17H12N4O5/c1-2-20-11-6-4-3-5-10(11)15(22)13(17(20)24)14-12(21(25)26)7-9(8-18)16(23)19-14/h3-7,22H,2H2,1H3,(H,19,23)
InChIKeyASUIMMILJYHAOT-UHFFFAOYSA-N
MW352.31 g/mol
LogP1.86
Rot. Bonds3

About 6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile

6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 102313247) has the molecular formula C17H12N4O5 and a molecular weight of 352.31 g/mol. Its IUPAC name is 6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID102313247
Molecular FormulaC17H12N4O5
Molecular Weight352.31 g/mol
Exact Mass352.08
IUPAC Name6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCn1c(=O)c(-c2[nH]c(=O)c(C#N)cc2[N+](=O)[O-])c(O)c2ccccc21
InChIInChI=1S/C17H12N4O5/c1-2-20-11-6-4-3-5-10(11)15(22)13(17(20)24)14-12(21(25)26)7-9(8-18)16(23)19-14/h3-7,22H,2H2,1H3,(H,19,23)
InChIKeyASUIMMILJYHAOT-UHFFFAOYSA-N
XLogP1.86
TPSA142.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
5-ethyl-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 10066953
1-ethyl-4-hydroxy-3-(3-nitro-1,5-benzothiazepin-4-yl)quinolin-2-one
CID 136754413
1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one
CID 135688806
1-ethyl-4,7-dihydroxy-3-phenylquinolin-2-one
CID 54716845
4-hydroxy-3-nitro-1-prop-2-ynylquinolin-2-one
CID 54710443
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one
CID 18887806
(Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid
CID 175282763
4-amino-3-nitronaphthalene-1-carbonitrile
CID 14678709
1-ethyl-4-hydroxy-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-oxoquinoline-3-carboxamide
CID 54688249

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile (CID 102313247) is 6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile is CCn1c(=O)c(-c2[nH]c(=O)c(C#N)cc2[N+](=O)[O-])c(O)c2ccccc21.
What is the InChIKey of 6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ASUIMMILJYHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O5/c1-2-20-11-6-4-3-5-10(11)15(22)13(17(20)24)14-12(21(25)26)7-9(8-18)16(23)19-14/h3-7,22H,2H2,1H3,(H,19,23).
What are the key properties of 6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile?
6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 352.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 102313247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).