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

C26H22N4O2 — CID 91899458

IUPAC(9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene
SMILESCCn1c2ccccc2c2cc(C/N=N/c3cc(C)nc4cc5c(cc34)OCO5)ccc21
InChIInChI=1S/C26H22N4O2/c1-3-30-23-7-5-4-6-18(23)19-11-17(8-9-24(19)30)14-27-29-22-10-16(2)28-21-13-26-25(12-20(21)22)31-15-32-26/h4-13H,3,14-15H2,1-2H3/b29-27+
InChIKeyXKVABQAVBADXRF-ORIPQNMZSA-N
MW422.49 g/mol
LogP6.68
Rot. Bonds4

About (9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene

(9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene (PubChem CID 91899458) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene
PubChem CID91899458
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name(9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene
SMILESCCn1c2ccccc2c2cc(C/N=N/c3cc(C)nc4cc5c(cc34)OCO5)ccc21
InChIInChI=1S/C26H22N4O2/c1-3-30-23-7-5-4-6-18(23)19-11-17(8-9-24(19)30)14-27-29-22-10-16(2)28-21-13-26-25(12-20(21)22)31-15-32-26/h4-13H,3,14-15H2,1-2H3/b29-27+
InChIKeyXKVABQAVBADXRF-ORIPQNMZSA-N
XLogP6.68
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 56.68
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 (9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene?
The IUPAC name of (9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene (CID 91899458) is (9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene.
What is the SMILES notation for (9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene?
The canonical SMILES for (9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene is CCn1c2ccccc2c2cc(C/N=N/c3cc(C)nc4cc5c(cc34)OCO5)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene?
The InChIKey is XKVABQAVBADXRF-ORIPQNMZSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-3-30-23-7-5-4-6-18(23)19-11-17(8-9-24(19)30)14-27-29-22-10-16(2)28-21-13-26-25(12-20(21)22)31-15-32-26/h4-13H,3,14-15H2,1-2H3/b29-27+.
What are the key properties of (9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene?
(9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene has a molecular weight of 422.49 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)methyl-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)diazene is sourced from PubChem (CID 91899458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).