benzyl(quinazolin-4-yl)diazene

C15H12N4 — CID 91896863

IUPACbenzyl(quinazolin-4-yl)diazene
SMILESc1ccc(C/N=N/c2ncnc3ccccc23)cc1
InChIInChI=1S/C15H12N4/c1-2-6-12(7-3-1)10-18-19-15-13-8-4-5-9-14(13)16-11-17-15/h1-9,11H,10H2/b19-18+
InChIKeyVUNVHPXZTVTKFI-VHEBQXMUSA-N
MW248.29 g/mol
LogP3.91
Rot. Bonds3

About benzyl(quinazolin-4-yl)diazene

benzyl(quinazolin-4-yl)diazene (PubChem CID 91896863) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is benzyl(quinazolin-4-yl)diazene.

Molecular Properties

Compound Namebenzyl(quinazolin-4-yl)diazene
PubChem CID91896863
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Namebenzyl(quinazolin-4-yl)diazene
SMILESc1ccc(C/N=N/c2ncnc3ccccc23)cc1
InChIInChI=1S/C15H12N4/c1-2-6-12(7-3-1)10-18-19-15-13-8-4-5-9-14(13)16-11-17-15/h1-9,11H,10H2/b19-18+
InChIKeyVUNVHPXZTVTKFI-VHEBQXMUSA-N
XLogP3.91
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(quinolin-4-ylmethyldiazenyl)benzoic acid
CID 91212564
(4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene
CID 91443491
[2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene
CID 91896751
benzene;4-methylquinazoline
CID 174274782
4-phenylmethoxyquinoline
CID 11299312
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
N-(1,2-diphenylethyl)quinazolin-4-amine
CID 67604516
hydron;quinazolin-4-amine
CID 174478214
azane;quinazolin-4-amine
CID 172800040
3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol
CID 63201598
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
N-(2-phenylmethoxyethyl)quinazolin-4-amine
CID 12928829

Frequently Asked Questions

What is the IUPAC name of benzyl(quinazolin-4-yl)diazene?
The IUPAC name of benzyl(quinazolin-4-yl)diazene (CID 91896863) is benzyl(quinazolin-4-yl)diazene.
What is the SMILES notation for benzyl(quinazolin-4-yl)diazene?
The canonical SMILES for benzyl(quinazolin-4-yl)diazene is c1ccc(C/N=N/c2ncnc3ccccc23)cc1.
What is the InChIKey of benzyl(quinazolin-4-yl)diazene?
The InChIKey is VUNVHPXZTVTKFI-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12N4/c1-2-6-12(7-3-1)10-18-19-15-13-8-4-5-9-14(13)16-11-17-15/h1-9,11H,10H2/b19-18+.
What are the key properties of benzyl(quinazolin-4-yl)diazene?
benzyl(quinazolin-4-yl)diazene has a molecular weight of 248.29 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(quinazolin-4-yl)diazene is sourced from PubChem (CID 91896863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).