8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide

C11H10ClN3O2 — CID 121237264

IUPAC8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCc1cc(Cl)c2[nH]cc(C(=O)NN)c(=O)c2c1
InChIInChI=1S/C11H10ClN3O2/c1-5-2-6-9(8(12)3-5)14-4-7(10(6)16)11(17)15-13/h2-4H,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyLCENSIZUQFVYHG-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.09
Rot. Bonds1

About 8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide

8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 121237264) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide
PubChem CID121237264
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCc1cc(Cl)c2[nH]cc(C(=O)NN)c(=O)c2c1
InChIInChI=1S/C11H10ClN3O2/c1-5-2-6-9(8(12)3-5)14-4-7(10(6)16)11(17)15-13/h2-4H,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyLCENSIZUQFVYHG-UHFFFAOYSA-N
XLogP1.09
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 2797073
N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide
CID 141109827
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532027
N-tert-butyl-8-chloro-6,7-dihydroxy-4-oxo-1H-quinoline-3-carboxamide
CID 118460150
6-bromo-8-chloro-N-[(1-methylsulfinylcyclobutyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 167837696
(7-chloro-5-methyl-1H-indol-3-yl) 2,2-dimethylpropanoate
CID 174468131
ethane;ethyl 8-(hydroxymethyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 143454813
4-oxo-1H-quinoline-3,7-dicarbohydrazide
CID 43839929
8-cyano-4-oxo-1H-quinoline-3-carbohydrazide
CID 53264499
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 50877325
3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
CID 46398194

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of 8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide (CID 121237264) is 8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide is Cc1cc(Cl)c2[nH]cc(C(=O)NN)c(=O)c2c1.
What is the InChIKey of 8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is LCENSIZUQFVYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-5-2-6-9(8(12)3-5)14-4-7(10(6)16)11(17)15-13/h2-4H,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide?
8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 251.67 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 121237264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).