2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide

C16H11N3O4 — CID 5377642

IUPAC2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc12
InChIInChI=1S/C16H11N3O4/c17-16(20)13-9-10(18-14-4-2-1-3-12(13)14)5-6-11-7-8-15(23-11)19(21)22/h1-9H,(H2,17,20)/b6-5+
InChIKeyKIANDUXTXYWIIF-AATRIKPKSA-N
MW309.28 g/mol
LogP3.01
Rot. Bonds4

About 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide

2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide (PubChem CID 5377642) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
PubChem CID5377642
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc12
InChIInChI=1S/C16H11N3O4/c17-16(20)13-9-10(18-14-4-2-1-3-12(13)14)5-6-11-7-8-15(23-11)19(21)22/h1-9H,(H2,17,20)/b6-5+
InChIKeyKIANDUXTXYWIIF-AATRIKPKSA-N
XLogP3.01
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.01
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

ethyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylate
CID 5378386
2-[2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 3276151
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline
CID 5376326
N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine
CID 6434485
2-formylquinoline-4-carboxamide
CID 15560688
2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinoline
CID 6445032
2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 4736319
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole
CID 14738165
6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
CID 154036186
6-methyl-2-[2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 4736351
2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid
CID 9446901
5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
CID 86023507

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide?
The IUPAC name of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide (CID 5377642) is 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide is NC(=O)c1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide?
The InChIKey is KIANDUXTXYWIIF-AATRIKPKSA-N. The full InChI is InChI=1S/C16H11N3O4/c17-16(20)13-9-10(18-14-4-2-1-3-12(13)14)5-6-11-7-8-15(23-11)19(21)22/h1-9H,(H2,17,20)/b6-5+.
What are the key properties of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide?
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide has a molecular weight of 309.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide is sourced from PubChem (CID 5377642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).