N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide

C21H15N3O4 — CID 15987569

IUPACN-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2n1
InChIInChI=1S/C21H15N3O4/c1-13-8-9-14-4-3-7-17(20(14)22-13)23-21(25)19-11-10-18(28-19)15-5-2-6-16(12-15)24(26)27/h2-12H,1H3,(H,23,25)
InChIKeyHCJMMCFPGJYFNA-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.96
Rot. Bonds4

About N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide

N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 15987569) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID15987569
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC NameN-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2n1
InChIInChI=1S/C21H15N3O4/c1-13-8-9-14-4-3-7-17(20(14)22-13)23-21(25)19-11-10-18(28-19)15-5-2-6-16(12-15)24(26)27/h2-12H,1H3,(H,23,25)
InChIKeyHCJMMCFPGJYFNA-UHFFFAOYSA-N
XLogP4.96
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.96
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-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide
CID 15991503
N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 738264
N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide
CID 2993763
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 2233721
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
butyl 2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoate
CID 5262308
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide (CID 15987569) is N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide is Cc1ccc2cccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2n1.
What is the InChIKey of N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is HCJMMCFPGJYFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c1-13-8-9-14-4-3-7-17(20(14)22-13)23-21(25)19-11-10-18(28-19)15-5-2-6-16(12-15)24(26)27/h2-12H,1H3,(H,23,25).
What are the key properties of N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide?
N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 4.96, 4 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-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 15987569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).