1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide

C14H11N5O4 — CID 142621104

IUPAC1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide
SMILESCn1cc(C(=O)NN)c(=O)c2cc([N+](=O)[O-])c3cccnc3c21
InChIInChI=1S/C14H11N5O4/c1-18-6-9(14(21)17-15)13(20)8-5-10(19(22)23)7-3-2-4-16-11(7)12(8)18/h2-6H,15H2,1H3,(H,17,21)
InChIKeyZQPJWGWMJAZZID-UHFFFAOYSA-N
MW313.27 g/mol
LogP0.60
Rot. Bonds2

About 1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide

1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide (PubChem CID 142621104) has the molecular formula C14H11N5O4 and a molecular weight of 313.27 g/mol. Its IUPAC name is 1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide
PubChem CID142621104
Molecular FormulaC14H11N5O4
Molecular Weight313.27 g/mol
Exact Mass313.08
IUPAC Name1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide
SMILESCn1cc(C(=O)NN)c(=O)c2cc([N+](=O)[O-])c3cccnc3c21
InChIInChI=1S/C14H11N5O4/c1-18-6-9(14(21)17-15)13(20)8-5-10(19(22)23)7-3-2-4-16-11(7)12(8)18/h2-6H,15H2,1H3,(H,17,21)
InChIKeyZQPJWGWMJAZZID-UHFFFAOYSA-N
XLogP0.60
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Antibacterial agent 105
CID 142621095
1-Ethyl-6-hydroxyazonoyl-4-oxo-1,10-phenanthroline-3-carboxylic acid
CID 142621097
(8-Carbamoyl-10-ethyl-7-oxo-1,10-phenanthrolin-5-yl)azinic acid
CID 142621102
(8-Carbamoyl-10-methyl-7-oxo-1,10-phenanthrolin-5-yl)azinic acid
CID 142621107
[10-Ethyl-8-(hydrazinecarbonyl)-7-oxo-1,10-phenanthrolin-5-yl]azinic acid
CID 142621112
1-ethyl-6-nitro-4-oxo-N-phenyl-1,10-phenanthroline-3-carboxamide
CID 162666830
2-[[3-Nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanoyl]amino]benzamide
CID 372916
N-(3-acetylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanamide
CID 372919
N-[(4-fluorophenyl)methyl]-N-methyl-8-nitro-7-oxo-10H-1,10-phenanthroline-3-carboxamide
CID 15407859
N-benzyl-6-fluoro-N-methyl-8-nitro-7-oxo-8H-1,10-phenanthroline-3-carboxamide
CID 21250028
N-[(4-fluorophenyl)methyl]-N-methyl-8-nitro-7-oxo-8H-1,10-phenanthroline-3-carboxamide
CID 21250120
N-benzyl-6-fluoro-N-methyl-8-nitro-7-oxo-10H-1,10-phenanthroline-3-carboxamide
CID 53819808

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide?
The IUPAC name of 1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide (CID 142621104) is 1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide.
What is the SMILES notation for 1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide?
The canonical SMILES for 1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide is Cn1cc(C(=O)NN)c(=O)c2cc([N+](=O)[O-])c3cccnc3c21.
What is the InChIKey of 1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide?
The InChIKey is ZQPJWGWMJAZZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O4/c1-18-6-9(14(21)17-15)13(20)8-5-10(19(22)23)7-3-2-4-16-11(7)12(8)18/h2-6H,15H2,1H3,(H,17,21).
What are the key properties of 1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide?
1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide has a molecular weight of 313.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide is sourced from PubChem (CID 142621104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).