2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide

C13H15N3O2 — CID 46397884

IUPAC2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide
SMILESCc1cc(C)c2c(c1)c(=O)ccn2CC(=O)NN
InChIInChI=1S/C13H15N3O2/c1-8-5-9(2)13-10(6-8)11(17)3-4-16(13)7-12(18)15-14/h3-6H,7,14H2,1-2H3,(H,15,18)
InChIKeyBLMWJNGJPGPWFP-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.61
Rot. Bonds2

About 2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide

2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide (PubChem CID 46397884) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide
PubChem CID46397884
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide
SMILESCc1cc(C)c2c(c1)c(=O)ccn2CC(=O)NN
InChIInChI=1S/C13H15N3O2/c1-8-5-9(2)13-10(6-8)11(17)3-4-16(13)7-12(18)15-14/h3-6H,7,14H2,1-2H3,(H,15,18)
InChIKeyBLMWJNGJPGPWFP-UHFFFAOYSA-N
XLogP0.61
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide
CID 46397786
2-(8-methyl-4-oxoquinolin-1-yl)acetamide
CID 43840086
2-(6-methyl-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100741082
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 100744235
N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744049
N-(2,3-dimethylphenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741423
N-(4-chlorophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741578
2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate
CID 66487519
2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid
CID 66487510
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 100744381

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide?
The IUPAC name of 2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide (CID 46397884) is 2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide?
The canonical SMILES for 2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide is Cc1cc(C)c2c(c1)c(=O)ccn2CC(=O)NN.
What is the InChIKey of 2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide?
The InChIKey is BLMWJNGJPGPWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-5-9(2)13-10(6-8)11(17)3-4-16(13)7-12(18)15-14/h3-6H,7,14H2,1-2H3,(H,15,18).
What are the key properties of 2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide?
2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide has a molecular weight of 245.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide is sourced from PubChem (CID 46397884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).