N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide

C23H16N4O4 — CID 3126530

IUPACN'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H16N4O4/c28-22(16-10-12-17(13-11-16)27(30)31)25-26-23(29)19-14-21(15-6-2-1-3-7-15)24-20-9-5-4-8-18(19)20/h1-14H,(H,25,28)(H,26,29)
InChIKeyMYSAUDHDRGYIRR-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.88
Rot. Bonds4

About N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide

N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide (PubChem CID 3126530) has the molecular formula C23H16N4O4 and a molecular weight of 412.41 g/mol. Its IUPAC name is N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
PubChem CID3126530
Molecular FormulaC23H16N4O4
Molecular Weight412.41 g/mol
Exact Mass412.12
IUPAC NameN'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H16N4O4/c28-22(16-10-12-17(13-11-16)27(30)31)25-26-23(29)19-14-21(15-6-2-1-3-7-15)24-20-9-5-4-8-18(19)20/h1-14H,(H,25,28)(H,26,29)
InChIKeyMYSAUDHDRGYIRR-UHFFFAOYSA-N
XLogP3.88
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide
CID 3403486
N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 25394120
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate
CID 23993278
N-(3-nitro-5-phenoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 3107712
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-(4-nitrophenyl)thiourea
CID 171350748
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 2930757
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
1-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 1354577
2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
CID 7600821
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 24686061

Frequently Asked Questions

What is the IUPAC name of N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide?
The IUPAC name of N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide (CID 3126530) is N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide?
The InChIKey is MYSAUDHDRGYIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O4/c28-22(16-10-12-17(13-11-16)27(30)31)25-26-23(29)19-14-21(15-6-2-1-3-7-15)24-20-9-5-4-8-18(19)20/h1-14H,(H,25,28)(H,26,29).
What are the key properties of N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide?
N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide has a molecular weight of 412.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide is sourced from PubChem (CID 3126530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).