6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline

C24H18N2O — CID 118735878

IUPAC6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline
SMILESC=CCOc1ccc(-c2nc3ccccc3c3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C24H18N2O/c1-2-15-27-17-13-11-16(12-14-17)23-24-22(18-7-3-5-9-20(18)25-23)19-8-4-6-10-21(19)26-24/h2-14,26H,1,15H2
InChIKeyHYEOXZOHULSALP-UHFFFAOYSA-N
MW350.42 g/mol
LogP6.10
Rot. Bonds4

About 6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline

6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline (PubChem CID 118735878) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline
PubChem CID118735878
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline
SMILESC=CCOc1ccc(-c2nc3ccccc3c3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C24H18N2O/c1-2-15-27-17-13-11-16(12-14-17)23-24-22(18-7-3-5-9-20(18)25-23)19-8-4-6-10-21(19)26-24/h2-14,26H,1,15H2
InChIKeyHYEOXZOHULSALP-UHFFFAOYSA-N
XLogP6.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline?
The IUPAC name of 6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline (CID 118735878) is 6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline.
What is the SMILES notation for 6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline?
The canonical SMILES for 6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline is C=CCOc1ccc(-c2nc3ccccc3c3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline?
The InChIKey is HYEOXZOHULSALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-2-15-27-17-13-11-16(12-14-17)23-24-22(18-7-3-5-9-20(18)25-23)19-8-4-6-10-21(19)26-24/h2-14,26H,1,15H2.
What are the key properties of 6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline?
6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline has a molecular weight of 350.42 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-prop-2-enoxyphenyl)-7H-indolo[2,3-c]quinoline is sourced from PubChem (CID 118735878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).