2-nitro-N-quinolin-8-ylacetamide

C11H9N3O3 — CID 108814489

IUPAC2-nitro-N-quinolin-8-ylacetamide
SMILESO=C(C[N+](=O)[O-])Nc1cccc2cccnc12
InChIInChI=1S/C11H9N3O3/c15-10(7-14(16)17)13-9-5-1-3-8-4-2-6-12-11(8)9/h1-6H,7H2,(H,13,15)
InChIKeyWDDPAPSPHRZFSX-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.45
Rot. Bonds3

About 2-nitro-N-quinolin-8-ylacetamide

2-nitro-N-quinolin-8-ylacetamide (PubChem CID 108814489) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-nitro-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-nitro-N-quinolin-8-ylacetamide
PubChem CID108814489
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-nitro-N-quinolin-8-ylacetamide
SMILESO=C(C[N+](=O)[O-])Nc1cccc2cccnc12
InChIInChI=1S/C11H9N3O3/c15-10(7-14(16)17)13-9-5-1-3-8-4-2-6-12-11(8)9/h1-6H,7H2,(H,13,15)
InChIKeyWDDPAPSPHRZFSX-UHFFFAOYSA-N
XLogP1.45
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.45
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

2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
N-quinolin-8-ylhex-3-enamide
CID 151663814
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
N-quinolin-8-ylundecanamide
CID 3567928
2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 134950470
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
5-nitro-N-quinolin-8-ylfuran-2-carboxamide
CID 935321

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-quinolin-8-ylacetamide?
The IUPAC name of 2-nitro-N-quinolin-8-ylacetamide (CID 108814489) is 2-nitro-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-nitro-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-nitro-N-quinolin-8-ylacetamide is O=C(C[N+](=O)[O-])Nc1cccc2cccnc12.
What is the InChIKey of 2-nitro-N-quinolin-8-ylacetamide?
The InChIKey is WDDPAPSPHRZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10(7-14(16)17)13-9-5-1-3-8-4-2-6-12-11(8)9/h1-6H,7H2,(H,13,15).
What are the key properties of 2-nitro-N-quinolin-8-ylacetamide?
2-nitro-N-quinolin-8-ylacetamide has a molecular weight of 231.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-quinolin-8-ylacetamide is sourced from PubChem (CID 108814489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).