4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide

C20H18N4O6 — CID 54686339

IUPAC4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide
SMILESCCCn1c(=O)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(O)c2ccccc21
InChIInChI=1S/C20H18N4O6/c1-2-11-23-14-9-5-3-7-12(14)17(25)16(20(23)28)19(27)22-21-18(26)13-8-4-6-10-15(13)24(29)30/h3-10,25H,2,11H2,1H3,(H,21,26)(H,22,27)
InChIKeyUGLWEUBOAPQNJO-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.10
Rot. Bonds5

About 4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide

4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide (PubChem CID 54686339) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is 4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide
PubChem CID54686339
Molecular FormulaC20H18N4O6
Molecular Weight410.39 g/mol
Exact Mass410.12
IUPAC Name4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide
SMILESCCCn1c(=O)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(O)c2ccccc21
InChIInChI=1S/C20H18N4O6/c1-2-11-23-14-9-5-3-7-12(14)17(25)16(20(23)28)19(27)22-21-18(26)13-8-4-6-10-15(13)24(29)30/h3-10,25H,2,11H2,1H3,(H,21,26)(H,22,27)
InChIKeyUGLWEUBOAPQNJO-UHFFFAOYSA-N
XLogP2.10
TPSA143.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
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'}

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Related Compounds

N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54681788
N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561
N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678204
diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
CID 54750247
2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium
CID 54697176
4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide (CID 54686339) is 4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide is CCCn1c(=O)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide?
The InChIKey is UGLWEUBOAPQNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O6/c1-2-11-23-14-9-5-3-7-12(14)17(25)16(20(23)28)19(27)22-21-18(26)13-8-4-6-10-15(13)24(29)30/h3-10,25H,2,11H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide?
4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide has a molecular weight of 410.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide is sourced from PubChem (CID 54686339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).