N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide

C15H11N3O4 — CID 2993763

IUPACN-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2n1
InChIInChI=1S/C15H11N3O4/c1-9-5-6-10-3-2-4-11(14(10)16-9)17-15(19)12-7-8-13(22-12)18(20)21/h2-8H,1H3,(H,17,19)
InChIKeyCHRKORNFXJFWIB-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.30
Rot. Bonds3

About N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide

N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide (PubChem CID 2993763) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide
PubChem CID2993763
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC NameN-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2n1
InChIInChI=1S/C15H11N3O4/c1-9-5-6-10-3-2-4-11(14(10)16-9)17-15(19)12-7-8-13(22-12)18(20)21/h2-8H,1H3,(H,17,19)
InChIKeyCHRKORNFXJFWIB-UHFFFAOYSA-N
XLogP3.30
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.30
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'}

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Related Compounds

5-nitro-N-quinolin-8-ylfuran-2-carboxamide
CID 935321
N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 15987569
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide
CID 15991503
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
5-nitro-N-(2-sulfamoylphenyl)furan-2-carboxamide
CID 61128250
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991
N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 103479831
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
N-[2-(1-chloroethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 114304944

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide (CID 2993763) is N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide is Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2n1.
What is the InChIKey of N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is CHRKORNFXJFWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-9-5-6-10-3-2-4-11(14(10)16-9)17-15(19)12-7-8-13(22-12)18(20)21/h2-8H,1H3,(H,17,19).
What are the key properties of N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide?
N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 2993763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).