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

C15H13N5O4 — CID 142621112

IUPAC1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2cc([N+](=O)[O-])c3cccnc3c21
InChIInChI=1S/C15H13N5O4/c1-2-19-7-10(15(22)18-16)14(21)9-6-11(20(23)24)8-4-3-5-17-12(8)13(9)19/h3-7H,2,16H2,1H3,(H,18,22)
InChIKeyUVLGCQANTSPAOK-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.08
Rot. Bonds3

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

1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide (PubChem CID 142621112) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide
PubChem CID142621112
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC Name1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2cc([N+](=O)[O-])c3cccnc3c21
InChIInChI=1S/C15H13N5O4/c1-2-19-7-10(15(22)18-16)14(21)9-6-11(20(23)24)8-4-3-5-17-12(8)13(9)19/h3-7H,2,16H2,1H3,(H,18,22)
InChIKeyUVLGCQANTSPAOK-UHFFFAOYSA-N
XLogP1.08
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.08
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
[8-(Hydrazinecarbonyl)-10-methyl-7-oxo-1,10-phenanthrolin-5-yl]azinic acid
CID 142621104
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-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide?
The IUPAC name of 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide (CID 142621112) is 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide.
What is the SMILES notation for 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide?
The canonical SMILES for 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide is CCn1cc(C(=O)NN)c(=O)c2cc([N+](=O)[O-])c3cccnc3c21.
What is the InChIKey of 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide?
The InChIKey is UVLGCQANTSPAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c1-2-19-7-10(15(22)18-16)14(21)9-6-11(20(23)24)8-4-3-5-17-12(8)13(9)19/h3-7H,2,16H2,1H3,(H,18,22).
What are the key properties of 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide?
1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide has a molecular weight of 327.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carbohydrazide is sourced from PubChem (CID 142621112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).