5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide

C18H11N3O4 — CID 936671

IUPAC5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cc2cc([N+](=O)[O-])ccc2o1
InChIInChI=1S/C18H11N3O4/c22-18(20-13-3-5-15-11(8-13)2-1-7-19-15)17-10-12-9-14(21(23)24)4-6-16(12)25-17/h1-10H,(H,20,22)
InChIKeyABPJONMTVDFJIO-UHFFFAOYSA-N
MW333.30 g/mol
LogP4.14
Rot. Bonds3

About 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide

5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide (PubChem CID 936671) has the molecular formula C18H11N3O4 and a molecular weight of 333.30 g/mol. Its IUPAC name is 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide
PubChem CID936671
Molecular FormulaC18H11N3O4
Molecular Weight333.30 g/mol
Exact Mass333.07
IUPAC Name5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cc2cc([N+](=O)[O-])ccc2o1
InChIInChI=1S/C18H11N3O4/c22-18(20-13-3-5-15-11(8-13)2-1-7-19-15)17-10-12-9-14(21(23)24)4-6-16(12)25-17/h1-10H,(H,20,22)
InChIKeyABPJONMTVDFJIO-UHFFFAOYSA-N
XLogP4.14
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 54.14
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'}

Analyze 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-nitro-1-benzofuran-2-carbohydrazide
CID 30772172
5-chloro-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 18876031
5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 19225383
N-[4-(4-nitrophenyl)sulfanylphenyl]-1-benzofuran-2-carboxamide
CID 17296716
N-quinolin-6-ylbenzamide
CID 833617
N-[(E)-benzylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 121005396
N-(3,4-dichlorophenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 1111848
4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 62634029
2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 66378461
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
5-(4-chlorophenyl)-N-quinolin-6-ylfuran-2-carboxamide;hydrochloride
CID 24776664
5-chloro-N-quinolin-6-ylpyrazine-2-carboxamide
CID 103803742

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide (CID 936671) is 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide is O=C(Nc1ccc2ncccc2c1)c1cc2cc([N+](=O)[O-])ccc2o1.
What is the InChIKey of 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide?
The InChIKey is ABPJONMTVDFJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O4/c22-18(20-13-3-5-15-11(8-13)2-1-7-19-15)17-10-12-9-14(21(23)24)4-6-16(12)25-17/h1-10H,(H,20,22).
What are the key properties of 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide?
5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 936671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).