(5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene

C16H14ClN3O — CID 154723195

IUPAC(5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2c(C)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H14ClN3O/c1-10-16(14-9-11(17)3-8-15(14)18-10)20-19-12-4-6-13(21-2)7-5-12/h3-9,18H,1-2H3/b20-19+
InChIKeyXKAKQDJSDPYJRV-FMQUCBEESA-N
MW299.76 g/mol
LogP5.55
Rot. Bonds3

About (5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene

(5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene (PubChem CID 154723195) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is (5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name(5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene
PubChem CID154723195
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name(5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2c(C)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H14ClN3O/c1-10-16(14-9-11(17)3-8-15(14)18-10)20-19-12-4-6-13(21-2)7-5-12/h3-9,18H,1-2H3/b20-19+
InChIKeyXKAKQDJSDPYJRV-FMQUCBEESA-N
XLogP5.55
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.76
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 10758096
ethyl 5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indole-2-carboxylate
CID 135939797
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol
CID 136695317
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3892528
5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole
CID 143870441
(4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene
CID 137148122
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605392
6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 86188129
propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate
CID 54471266

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene?
The IUPAC name of (5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene (CID 154723195) is (5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene.
What is the SMILES notation for (5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene?
The canonical SMILES for (5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene is COc1ccc(/N=N/c2c(C)[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of (5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene?
The InChIKey is XKAKQDJSDPYJRV-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-16(14-9-11(17)3-8-15(14)18-10)20-19-12-4-6-13(21-2)7-5-12/h3-9,18H,1-2H3/b20-19+.
What are the key properties of (5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene?
(5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene has a molecular weight of 299.76 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene is sourced from PubChem (CID 154723195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).