4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide

C24H22N4O — CID 25073603

IUPAC4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide
SMILESO=C(NNc1cccc2cccnc12)c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C24H22N4O/c29-24(28-27-22-10-4-8-20-9-5-15-26-23(20)22)21-13-11-19(12-14-21)17-25-16-18-6-2-1-3-7-18/h1-15,25,27H,16-17H2,(H,28,29)
InChIKeyUVNBCWXLDJQFGR-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.28
Rot. Bonds7

About 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide

4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide (PubChem CID 25073603) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide.

Molecular Properties

Compound Name4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide
PubChem CID25073603
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide
SMILESO=C(NNc1cccc2cccnc12)c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C24H22N4O/c29-24(28-27-22-10-4-8-20-9-5-15-26-23(20)22)21-13-11-19(12-14-21)17-25-16-18-6-2-1-3-7-18/h1-15,25,27H,16-17H2,(H,28,29)
InChIKeyUVNBCWXLDJQFGR-UHFFFAOYSA-N
XLogP4.28
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109085380
1-benzyl-3-quinolin-8-ylthiourea
CID 8655123
3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
CID 69444328
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
ethyl 2-oxo-2-(2-quinolin-8-ylhydrazinyl)acetate
CID 5202354

Frequently Asked Questions

What is the IUPAC name of 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide?
The IUPAC name of 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide (CID 25073603) is 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide.
What is the SMILES notation for 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide?
The canonical SMILES for 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide is O=C(NNc1cccc2cccnc12)c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide?
The InChIKey is UVNBCWXLDJQFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(28-27-22-10-4-8-20-9-5-15-26-23(20)22)21-13-11-19(12-14-21)17-25-16-18-6-2-1-3-7-18/h1-15,25,27H,16-17H2,(H,28,29).
What are the key properties of 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide?
4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide has a molecular weight of 382.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide is sourced from PubChem (CID 25073603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).