(3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene

C19H17N3O3 — CID 91899456

IUPAC(3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene
SMILESCOc1cccc(C/N=N/c2cc(C)nc3cc4c(cc23)OCO4)c1
InChIInChI=1S/C19H17N3O3/c1-12-6-17(22-20-10-13-4-3-5-14(7-13)23-2)15-8-18-19(25-11-24-18)9-16(15)21-12/h3-9H,10-11H2,1-2H3/b22-20+
InChIKeyPXKBFIHMHPIJQQ-LSDHQDQOSA-N
MW335.36 g/mol
LogP4.56
Rot. Bonds4

About (3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene

(3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene (PubChem CID 91899456) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene
PubChem CID91899456
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene
SMILESCOc1cccc(C/N=N/c2cc(C)nc3cc4c(cc23)OCO4)c1
InChIInChI=1S/C19H17N3O3/c1-12-6-17(22-20-10-13-4-3-5-14(7-13)23-2)15-8-18-19(25-11-24-18)9-16(15)21-12/h3-9H,10-11H2,1-2H3/b22-20+
InChIKeyPXKBFIHMHPIJQQ-LSDHQDQOSA-N
XLogP4.56
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene?
The IUPAC name of (3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene (CID 91899456) is (3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene.
What is the SMILES notation for (3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene?
The canonical SMILES for (3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene is COc1cccc(C/N=N/c2cc(C)nc3cc4c(cc23)OCO4)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene?
The InChIKey is PXKBFIHMHPIJQQ-LSDHQDQOSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-6-17(22-20-10-13-4-3-5-14(7-13)23-2)15-8-18-19(25-11-24-18)9-16(15)21-12/h3-9H,10-11H2,1-2H3/b22-20+.
What are the key properties of (3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene?
(3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene has a molecular weight of 335.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene is sourced from PubChem (CID 91899456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).