N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide

C16H15N5O4 — CID 166202719

IUPACN-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCCc1cc(=O)c2cc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C16H15N5O4/c1-3-9-7-13(22)11-6-10(4-5-12(11)17-9)18-16(23)14-15(21(24)25)8(2)19-20-14/h4-7H,3H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)
InChIKeyNVQQYPUQTLJAJL-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.28
Rot. Bonds4

About N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide

N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (PubChem CID 166202719) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
PubChem CID166202719
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC NameN-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCCc1cc(=O)c2cc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C16H15N5O4/c1-3-9-7-13(22)11-6-10(4-5-12(11)17-9)18-16(23)14-15(21(24)25)8(2)19-20-14/h4-7H,3H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)
InChIKeyNVQQYPUQTLJAJL-UHFFFAOYSA-N
XLogP2.28
TPSA133.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
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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Related Compounds

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N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
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N-tert-butyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
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6-tert-butyl-2-ethyl-1H-quinolin-4-one
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (CID 166202719) is N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is CCc1cc(=O)c2cc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])ccc2[nH]1.
What is the InChIKey of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is NVQQYPUQTLJAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/c1-3-9-7-13(22)11-6-10(4-5-12(11)17-9)18-16(23)14-15(21(24)25)8(2)19-20-14/h4-7H,3H2,1-2H3,(H,17,22)(H,18,23)(H,19,20).
What are the key properties of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166202719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).