7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole

C18H17ClN2O2 — CID 68885879

IUPAC7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole
SMILESC=CCn1nc(-c2ccc(OC)cc2OC)c2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2O2/c1-4-10-21-18-14(6-5-7-15(18)19)17(20-21)13-9-8-12(22-2)11-16(13)23-3/h4-9,11H,1,10H2,2-3H3
InChIKeyIGGZWRZIDWKZAC-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.56
Rot. Bonds5

About 7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole

7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole (PubChem CID 68885879) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole.

Molecular Properties

Compound Name7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole
PubChem CID68885879
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole
SMILESC=CCn1nc(-c2ccc(OC)cc2OC)c2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2O2/c1-4-10-21-18-14(6-5-7-15(18)19)17(20-21)13-9-8-12(22-2)11-16(13)23-3/h4-9,11H,1,10H2,2-3H3
InChIKeyIGGZWRZIDWKZAC-UHFFFAOYSA-N
XLogP4.56
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole?
The IUPAC name of 7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole (CID 68885879) is 7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole.
What is the SMILES notation for 7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole?
The canonical SMILES for 7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole is C=CCn1nc(-c2ccc(OC)cc2OC)c2cccc(Cl)c21.
What is the InChIKey of 7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole?
The InChIKey is IGGZWRZIDWKZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-4-10-21-18-14(6-5-7-15(18)19)17(20-21)13-9-8-12(22-2)11-16(13)23-3/h4-9,11H,1,10H2,2-3H3.
What are the key properties of 7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole?
7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole has a molecular weight of 328.80 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole is sourced from PubChem (CID 68885879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).