N-ethyl-5-nitroquinoline-4-carboxamide

C12H11N3O3 — CID 22083866

IUPACN-ethyl-5-nitroquinoline-4-carboxamide
SMILESCCNC(=O)c1ccnc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C12H11N3O3/c1-2-13-12(16)8-6-7-14-9-4-3-5-10(11(8)9)15(17)18/h3-7H,2H2,1H3,(H,13,16)
InChIKeyZRZQCLOVXLYGBT-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.89
Rot. Bonds3

About N-ethyl-5-nitroquinoline-4-carboxamide

N-ethyl-5-nitroquinoline-4-carboxamide (PubChem CID 22083866) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-ethyl-5-nitroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-nitroquinoline-4-carboxamide
PubChem CID22083866
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-ethyl-5-nitroquinoline-4-carboxamide
SMILESCCNC(=O)c1ccnc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C12H11N3O3/c1-2-13-12(16)8-6-7-14-9-4-3-5-10(11(8)9)15(17)18/h3-7H,2H2,1H3,(H,13,16)
InChIKeyZRZQCLOVXLYGBT-UHFFFAOYSA-N
XLogP1.89
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
N-methylmethanamine;5-nitro-N-propylquinolin-4-amine
CID 69400759
4-chloro-5-nitroquinoline
CID 12582845
5-nitroquinolin-4-amine
CID 53439998
2-chloro-N-ethyl-4,5-dinitrobenzamide
CID 88924576
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 18145715
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
5-nitro-4-pyridin-3-ylquinoline
CID 175692098
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]-3-nitrobenzamide
CID 103749147
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-nitroquinoline-4-carboxamide?
The IUPAC name of N-ethyl-5-nitroquinoline-4-carboxamide (CID 22083866) is N-ethyl-5-nitroquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-5-nitroquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-5-nitroquinoline-4-carboxamide is CCNC(=O)c1ccnc2cccc([N+](=O)[O-])c12.
What is the InChIKey of N-ethyl-5-nitroquinoline-4-carboxamide?
The InChIKey is ZRZQCLOVXLYGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-2-13-12(16)8-6-7-14-9-4-3-5-10(11(8)9)15(17)18/h3-7H,2H2,1H3,(H,13,16).
What are the key properties of N-ethyl-5-nitroquinoline-4-carboxamide?
N-ethyl-5-nitroquinoline-4-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitroquinoline-4-carboxamide is sourced from PubChem (CID 22083866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).