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

C15H12N4O4 — CID 142621102

IUPAC1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide
SMILESCCn1cc(C(N)=O)c(=O)c2cc([N+](=O)[O-])c3cccnc3c21
InChIInChI=1S/C15H12N4O4/c1-2-18-7-10(15(16)21)14(20)9-6-11(19(22)23)8-4-3-5-17-12(8)13(9)18/h3-7H,2H2,1H3,(H2,16,21)
InChIKeyOPPWRNRUEUURML-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.58
Rot. Bonds3

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

1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide (PubChem CID 142621102) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide
PubChem CID142621102
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide
SMILESCCn1cc(C(N)=O)c(=O)c2cc([N+](=O)[O-])c3cccnc3c21
InChIInChI=1S/C15H12N4O4/c1-2-18-7-10(15(16)21)14(20)9-6-11(19(22)23)8-4-3-5-17-12(8)13(9)18/h3-7H,2H2,1H3,(H2,16,21)
InChIKeyOPPWRNRUEUURML-UHFFFAOYSA-N
XLogP1.58
TPSA121.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,10-Phenanthrolin-4-ol
CID 3735617
5-[4-(2-Fluorobenzoyl)-1-piperazinyl]-8-nitroquinoline
CID 2888416
3-nitro-N-(quinolin-8-yl)benzamide
CID 657169
4-Nitro-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one
CID 9862229
(8-Ethoxycarbonyl-10-methyl-7-oxo-1,10-phenanthrolin-5-yl)azinic acid
CID 142621092
(8-Ethoxycarbonyl-10-ethyl-7-oxo-1,10-phenanthrolin-5-yl)azinic acid
CID 142621093
Antibacterial agent 105
CID 142621095
Zinc04083482
CID 2890057
3-methyl-4-nitro-N-quinolin-8-ylbenzamide
CID 930537
4-methyl-3-nitro-N-5-quinolinylbenzamide
CID 952430
N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide
CID 10449852
2-nitro-N-(quinolin-8-yl)benzamide
CID 792323

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide?
The IUPAC name of 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide (CID 142621102) is 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide is CCn1cc(C(N)=O)c(=O)c2cc([N+](=O)[O-])c3cccnc3c21.
What is the InChIKey of 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide?
The InChIKey is OPPWRNRUEUURML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-2-18-7-10(15(16)21)14(20)9-6-11(19(22)23)8-4-3-5-17-12(8)13(9)18/h3-7H,2H2,1H3,(H2,16,21).
What are the key properties of 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide?
1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-nitro-4-oxo-1,10-phenanthroline-3-carboxamide is sourced from PubChem (CID 142621102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).