N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide

C22H15N5O5 — CID 3403486

IUPACN'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H15N5O5/c28-22(25-24-19-11-10-15(26(29)30)12-21(19)27(31)32)17-13-20(14-6-2-1-3-7-14)23-18-9-5-4-8-16(17)18/h1-13,24H,(H,25,28)
InChIKeyRFDXGVQWORNFEK-UHFFFAOYSA-N
MW429.39 g/mol
LogP4.48
Rot. Bonds6

About N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide

N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide (PubChem CID 3403486) has the molecular formula C22H15N5O5 and a molecular weight of 429.39 g/mol. Its IUPAC name is N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide
PubChem CID3403486
Molecular FormulaC22H15N5O5
Molecular Weight429.39 g/mol
Exact Mass429.11
IUPAC NameN'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H15N5O5/c28-22(25-24-19-11-10-15(26(29)30)12-21(19)27(31)32)17-13-20(14-6-2-1-3-7-14)23-18-9-5-4-8-16(17)18/h1-13,24H,(H,25,28)
InChIKeyRFDXGVQWORNFEK-UHFFFAOYSA-N
XLogP4.48
TPSA140.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide 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

N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 3126530
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate
CID 23993278
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 2930757
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 2930791
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide
CID 3680478
N-(3-nitro-5-phenoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 3107712
N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 137150933
2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
CID 4216201
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 4196930
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2357065
N-(2-chloro-4-nitrophenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4591737

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide?
The IUPAC name of N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide (CID 3403486) is N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide is O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide?
The InChIKey is RFDXGVQWORNFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O5/c28-22(25-24-19-11-10-15(26(29)30)12-21(19)27(31)32)17-13-20(14-6-2-1-3-7-14)23-18-9-5-4-8-16(17)18/h1-13,24H,(H,25,28).
What are the key properties of N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide?
N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide has a molecular weight of 429.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide is sourced from PubChem (CID 3403486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).