N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide

C22H18N4O2 — CID 118731257

IUPACN'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H18N4O2/c27-17-12-10-16(11-13-17)22(28)26-25-21-20(14-15-6-2-1-3-7-15)23-18-8-4-5-9-19(18)24-21/h1-13,27H,14H2,(H,24,25)(H,26,28)
InChIKeyNYMFKKHFGDKOKO-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.68
Rot. Bonds5

About N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide

N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide (PubChem CID 118731257) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide
PubChem CID118731257
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H18N4O2/c27-17-12-10-16(11-13-17)22(28)26-25-21-20(14-15-6-2-1-3-7-15)23-18-8-4-5-9-19(18)24-21/h1-13,27H,14H2,(H,24,25)(H,26,28)
InChIKeyNYMFKKHFGDKOKO-UHFFFAOYSA-N
XLogP3.68
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-hydroxybenzoyl)quinoline-2-carbohydrazide
CID 9119002
N'-(acridin-9-yl)-4-hydroxybenzohydrazide
CID 3138566
N'-(3-benzylquinoxalin-2-yl)benzohydrazide
CID 118731254
N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide
CID 118731256
4-[(E)-N-[(3-benzylquinoxalin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 136032567
4-[(E)-[(3-benzylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 136203708
4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzenecarbohydrazide
CID 3801608
4-[[3-[(E)-2-(4-hydroxyphenyl)ethenyl]quinoxalin-2-yl]amino]benzoic acid
CID 178317046
4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
CID 4313749
4-[(E)-N-[(3-anilinoquinoxalin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 139236572
2-(4-fluorophenyl)-N'-(4-hydroxybenzoyl)quinoline-4-carbohydrazide
CID 8180246
2-hydroxy-N'-quinolin-2-ylbenzohydrazide
CID 58876908

Frequently Asked Questions

What is the IUPAC name of N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide?
The IUPAC name of N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide (CID 118731257) is N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide.
What is the SMILES notation for N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide?
The canonical SMILES for N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide is O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide?
The InChIKey is NYMFKKHFGDKOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-17-12-10-16(11-13-17)22(28)26-25-21-20(14-15-6-2-1-3-7-15)23-18-8-4-5-9-19(18)24-21/h1-13,27H,14H2,(H,24,25)(H,26,28).
What are the key properties of N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide?
N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide has a molecular weight of 370.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-benzylquinoxalin-2-yl)-4-hydroxybenzohydrazide is sourced from PubChem (CID 118731257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).