2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide

C19H16N4O4 — CID 38767727

IUPAC2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide
SMILESCc1ccc2cc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(C)nc2c1
InChIInChI=1S/C19H16N4O4/c1-11-6-7-13-10-16(12(2)20-17(13)8-11)19(25)22-21-18(24)14-4-3-5-15(9-14)23(26)27/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKeyAOGUQSYANGKSGI-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.83
Rot. Bonds3

About 2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide

2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide (PubChem CID 38767727) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide.

Molecular Properties

Compound Name2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide
PubChem CID38767727
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide
SMILESCc1ccc2cc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(C)nc2c1
InChIInChI=1S/C19H16N4O4/c1-11-6-7-13-10-16(12(2)20-17(13)8-11)19(25)22-21-18(24)14-4-3-5-15(9-14)23(26)27/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKeyAOGUQSYANGKSGI-UHFFFAOYSA-N
XLogP2.83
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.83
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'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N-[(2-chloro-7-methylquinolin-3-yl)methylideneamino]-3-nitrobenzamide
CID 1048793
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide
CID 29259935
[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 26534154
N'-[2-(2,5-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4945052
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide
CID 3548289
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide
CID 27662809
3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9033714

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide?
The IUPAC name of 2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide (CID 38767727) is 2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide.
What is the SMILES notation for 2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide?
The canonical SMILES for 2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide is Cc1ccc2cc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide?
The InChIKey is AOGUQSYANGKSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-11-6-7-13-10-16(12(2)20-17(13)8-11)19(25)22-21-18(24)14-4-3-5-15(9-14)23(26)27/h3-10H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide?
2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide has a molecular weight of 364.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide is sourced from PubChem (CID 38767727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).