N'-butanoylquinoline-2-carbohydrazide

C14H15N3O2 — CID 29266790

IUPACN'-butanoylquinoline-2-carbohydrazide
SMILESCCCC(=O)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H15N3O2/c1-2-5-13(18)16-17-14(19)12-9-8-10-6-3-4-7-11(10)15-12/h3-4,6-9H,2,5H2,1H3,(H,16,18)(H,17,19)
InChIKeyLSRNIRKPTQBKOJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.80
Rot. Bonds3

About N'-butanoylquinoline-2-carbohydrazide

N'-butanoylquinoline-2-carbohydrazide (PubChem CID 29266790) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N'-butanoylquinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-butanoylquinoline-2-carbohydrazide
PubChem CID29266790
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN'-butanoylquinoline-2-carbohydrazide
SMILESCCCC(=O)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H15N3O2/c1-2-5-13(18)16-17-14(19)12-9-8-10-6-3-4-7-11(10)15-12/h3-4,6-9H,2,5H2,1H3,(H,16,18)(H,17,19)
InChIKeyLSRNIRKPTQBKOJ-UHFFFAOYSA-N
XLogP1.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-2-ylbutan-1-one
CID 14895778
N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide
CID 35070266
N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
CID 29266373
N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide
CID 35064538
N'-(2-ethoxybenzoyl)quinoline-2-carbohydrazide
CID 29266895
N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide
CID 35069552
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
CID 7780075
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
CID 29266482
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547

Frequently Asked Questions

What is the IUPAC name of N'-butanoylquinoline-2-carbohydrazide?
The IUPAC name of N'-butanoylquinoline-2-carbohydrazide (CID 29266790) is N'-butanoylquinoline-2-carbohydrazide.
What is the SMILES notation for N'-butanoylquinoline-2-carbohydrazide?
The canonical SMILES for N'-butanoylquinoline-2-carbohydrazide is CCCC(=O)NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N'-butanoylquinoline-2-carbohydrazide?
The InChIKey is LSRNIRKPTQBKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-5-13(18)16-17-14(19)12-9-8-10-6-3-4-7-11(10)15-12/h3-4,6-9H,2,5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-butanoylquinoline-2-carbohydrazide?
N'-butanoylquinoline-2-carbohydrazide has a molecular weight of 257.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoylquinoline-2-carbohydrazide is sourced from PubChem (CID 29266790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).