2-(2-quinolin-4-ylethyl)benzohydrazide

C18H17N3O — CID 70948892

IUPAC2-(2-quinolin-4-ylethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1CCc1ccnc2ccccc12
InChIInChI=1S/C18H17N3O/c19-21-18(22)16-7-2-1-5-13(16)9-10-14-11-12-20-17-8-4-3-6-15(14)17/h1-8,11-12H,9-10,19H2,(H,21,22)
InChIKeyOHXNRIINYXRMLO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.62
Rot. Bonds4

About 2-(2-quinolin-4-ylethyl)benzohydrazide

2-(2-quinolin-4-ylethyl)benzohydrazide (PubChem CID 70948892) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(2-quinolin-4-ylethyl)benzohydrazide.

Molecular Properties

Compound Name2-(2-quinolin-4-ylethyl)benzohydrazide
PubChem CID70948892
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(2-quinolin-4-ylethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1CCc1ccnc2ccccc12
InChIInChI=1S/C18H17N3O/c19-21-18(22)16-7-2-1-5-13(16)9-10-14-11-12-20-17-8-4-3-6-15(14)17/h1-8,11-12H,9-10,19H2,(H,21,22)
InChIKeyOHXNRIINYXRMLO-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
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

2-propylbenzohydrazide
CID 140653675
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422
3-quinolin-4-ylpropan-1-ol
CID 21218471
1,5-naphthyridine-4-carbohydrazide
CID 174723125
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
1-(2-iodophenyl)-2-quinolin-4-ylethanone
CID 114979720
4-quinolin-4-ylbutan-1-amine
CID 10559963
4-(2-pyridin-4-ylethyl)quinoline
CID 70184039
2-(3,4,4-trifluorobut-3-enyl)benzohydrazide
CID 152530690
3-(3-quinolin-4-ylpropanoylamino)propanoic acid
CID 119351290
2-quinolin-4-ylsulfanylacetohydrazide
CID 57355260

Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-4-ylethyl)benzohydrazide?
The IUPAC name of 2-(2-quinolin-4-ylethyl)benzohydrazide (CID 70948892) is 2-(2-quinolin-4-ylethyl)benzohydrazide.
What is the SMILES notation for 2-(2-quinolin-4-ylethyl)benzohydrazide?
The canonical SMILES for 2-(2-quinolin-4-ylethyl)benzohydrazide is NNC(=O)c1ccccc1CCc1ccnc2ccccc12.
What is the InChIKey of 2-(2-quinolin-4-ylethyl)benzohydrazide?
The InChIKey is OHXNRIINYXRMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-21-18(22)16-7-2-1-5-13(16)9-10-14-11-12-20-17-8-4-3-6-15(14)17/h1-8,11-12H,9-10,19H2,(H,21,22).
What are the key properties of 2-(2-quinolin-4-ylethyl)benzohydrazide?
2-(2-quinolin-4-ylethyl)benzohydrazide has a molecular weight of 291.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-4-ylethyl)benzohydrazide is sourced from PubChem (CID 70948892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).