N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide

C15H11N3O4 — CID 75507864

IUPACN-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H11N3O4/c1-9-6-14(17-15(19)10-4-5-22-8-10)12-7-11(18(20)21)2-3-13(12)16-9/h2-8H,1H3,(H,16,17,19)
InChIKeyHKFCZICXICWDKO-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.30
Rot. Bonds3

About N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide

N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide (PubChem CID 75507864) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide
PubChem CID75507864
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC NameN-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H11N3O4/c1-9-6-14(17-15(19)10-4-5-22-8-10)12-7-11(18(20)21)2-3-13(12)16-9/h2-8H,1H3,(H,16,17,19)
InChIKeyHKFCZICXICWDKO-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

N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 75507851
N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75507854
N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide
CID 59754517
2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide
CID 86793222
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86793217
2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
CID 75520155
2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
4-(furan-3-carbonylamino)-3-nitrobenzoic acid
CID 60844724
6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789696
6-fluoro-N-(2-hydroxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789694
N-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide?
The IUPAC name of N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide (CID 75507864) is N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide.
What is the SMILES notation for N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide?
The canonical SMILES for N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide is Cc1cc(NC(=O)c2ccoc2)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide?
The InChIKey is HKFCZICXICWDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-9-6-14(17-15(19)10-4-5-22-8-10)12-7-11(18(20)21)2-3-13(12)16-9/h2-8H,1H3,(H,16,17,19).
What are the key properties of N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide?
N-(2-methyl-6-nitroquinolin-4-yl)furan-3-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-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide is sourced from PubChem (CID 75507864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).