N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide

C12H10ClN3O4 — CID 54679578

IUPACN'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C12H10ClN3O4/c13-5-8(17)15-16-12(20)9-10(18)6-3-1-2-4-7(6)14-11(9)19/h1-4H,5H2,(H,15,17)(H,16,20)(H2,14,18,19)
InChIKeyWKYPWNQLZYITNU-UHFFFAOYSA-N
MW295.68 g/mol
LogP0.23
Rot. Bonds2

About N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide

N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 54679578) has the molecular formula C12H10ClN3O4 and a molecular weight of 295.68 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
PubChem CID54679578
Molecular FormulaC12H10ClN3O4
Molecular Weight295.68 g/mol
Exact Mass295.04
IUPAC NameN'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C12H10ClN3O4/c13-5-8(17)15-16-12(20)9-10(18)6-3-1-2-4-7(6)14-11(9)19/h1-4H,5H2,(H,15,17)(H,16,20)(H2,14,18,19)
InChIKeyWKYPWNQLZYITNU-UHFFFAOYSA-N
XLogP0.23
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
CID 54687081
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54677806
4-hydroxy-N-naphthalen-1-yl-2-oxo-1H-quinoline-3-carboxamide
CID 54686480
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 166443266
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
CID 54713099
4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 54677764
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54693736
N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54706964
N-(3-ethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54740490

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide (CID 54679578) is N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide is O=C(CCl)NNC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is WKYPWNQLZYITNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4/c13-5-8(17)15-16-12(20)9-10(18)6-3-1-2-4-7(6)14-11(9)19/h1-4H,5H2,(H,15,17)(H,16,20)(H2,14,18,19).
What are the key properties of N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide?
N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 295.68 g/mol, XLogP of 0.23, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 54679578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).