(4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene

C18H17N3O — CID 91898142

IUPAC(4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene
SMILESCOc1ccc(C/N=N/c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H17N3O/c1-13-11-18(16-5-3-4-6-17(16)20-13)21-19-12-14-7-9-15(22-2)10-8-14/h3-11H,12H2,1-2H3/b21-19+
InChIKeyBBKFOHVZXRMFKQ-XUTLUUPISA-N
MW291.35 g/mol
LogP4.84
Rot. Bonds4

About (4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene

(4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene (PubChem CID 91898142) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene
PubChem CID91898142
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name(4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene
SMILESCOc1ccc(C/N=N/c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H17N3O/c1-13-11-18(16-5-3-4-6-17(16)20-13)21-19-12-14-7-9-15(22-2)10-8-14/h3-11H,12H2,1-2H3/b21-19+
InChIKeyBBKFOHVZXRMFKQ-XUTLUUPISA-N
XLogP4.84
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.84
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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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene?
The IUPAC name of (4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene (CID 91898142) is (4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene.
What is the SMILES notation for (4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene?
The canonical SMILES for (4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene is COc1ccc(C/N=N/c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene?
The InChIKey is BBKFOHVZXRMFKQ-XUTLUUPISA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-11-18(16-5-3-4-6-17(16)20-13)21-19-12-14-7-9-15(22-2)10-8-14/h3-11H,12H2,1-2H3/b21-19+.
What are the key properties of (4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene?
(4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene has a molecular weight of 291.35 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-(2-methylquinolin-4-yl)diazene is sourced from PubChem (CID 91898142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).