N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide

C15H12N4O4 — CID 3714926

IUPACN'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide
SMILESCc1cc(NNC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2n1
InChIInChI=1S/C15H12N4O4/c1-9-8-12(10-4-2-3-5-11(10)16-9)17-18-15(20)13-6-7-14(23-13)19(21)22/h2-8H,1H3,(H,16,17)(H,18,20)
InChIKeyAIBBIZGYPKBWHK-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.80
Rot. Bonds4

About N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide

N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide (PubChem CID 3714926) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide
PubChem CID3714926
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC NameN'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide
SMILESCc1cc(NNC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2n1
InChIInChI=1S/C15H12N4O4/c1-9-8-12(10-4-2-3-5-11(10)16-9)17-18-15(20)13-6-7-14(23-13)19(21)22/h2-8H,1H3,(H,16,17)(H,18,20)
InChIKeyAIBBIZGYPKBWHK-UHFFFAOYSA-N
XLogP2.80
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-phenylfuran-2-carbohydrazide
CID 5462738
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide
CID 5492977
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide
CID 2993763
N-[(3-methylphenyl)methyl]-5-nitrofuran-2-carboxamide
CID 34164755
N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
CID 102603103
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide?
The IUPAC name of N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide (CID 3714926) is N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide?
The canonical SMILES for N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide is Cc1cc(NNC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2n1.
What is the InChIKey of N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide?
The InChIKey is AIBBIZGYPKBWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-9-8-12(10-4-2-3-5-11(10)16-9)17-18-15(20)13-6-7-14(23-13)19(21)22/h2-8H,1H3,(H,16,17)(H,18,20).
What are the key properties of N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide?
N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide has a molecular weight of 312.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide is sourced from PubChem (CID 3714926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).