1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene

C21H23N3O3 — CID 91025489

IUPAC1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene
SMILES[H]/N=N/C(C)c1cc(C)c(C)cc1Oc1ccnc2cc(OC)c(OC)cc12
InChIInChI=1S/C21H23N3O3/c1-12-8-15(14(3)24-22)19(9-13(12)2)27-18-6-7-23-17-11-21(26-5)20(25-4)10-16(17)18/h6-11,14,22H,1-5H3/b24-22+
InChIKeyFGWCLFDRAIWBAJ-ZNTNEXAZSA-N
MW365.43 g/mol
LogP5.75
Rot. Bonds6

About 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene

1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene (PubChem CID 91025489) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene.

Molecular Properties

Compound Name1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene
PubChem CID91025489
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene
SMILES[H]/N=N/C(C)c1cc(C)c(C)cc1Oc1ccnc2cc(OC)c(OC)cc12
InChIInChI=1S/C21H23N3O3/c1-12-8-15(14(3)24-22)19(9-13(12)2)27-18-6-7-23-17-11-21(26-5)20(25-4)10-16(17)18/h6-11,14,22H,1-5H3/b24-22+
InChIKeyFGWCLFDRAIWBAJ-ZNTNEXAZSA-N
XLogP5.75
TPSA76.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.75
H-Bond Donors ≤ 51
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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Related Compounds

4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline
CID 91595077
methane;4,6,7-trimethoxyquinoline
CID 157066291
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587
4-methoxy-7-methyl-6-propan-2-yloxyquinoline
CID 144937171
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole
CID 23156647
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene?
The IUPAC name of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene (CID 91025489) is 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene.
What is the SMILES notation for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene?
The canonical SMILES for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene is [H]/N=N/C(C)c1cc(C)c(C)cc1Oc1ccnc2cc(OC)c(OC)cc12.
What is the InChIKey of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene?
The InChIKey is FGWCLFDRAIWBAJ-ZNTNEXAZSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-12-8-15(14(3)24-22)19(9-13(12)2)27-18-6-7-23-17-11-21(26-5)20(25-4)10-16(17)18/h6-11,14,22H,1-5H3/b24-22+.
What are the key properties of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene?
1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene has a molecular weight of 365.43 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene is sourced from PubChem (CID 91025489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).