6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline

C23H18N2O2 — CID 118970873

IUPAC6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline
SMILESCOc1ccc(-c2nc3ccccc3c3cc4ccccn4c23)cc1OC
InChIInChI=1S/C23H18N2O2/c1-26-20-11-10-15(13-21(20)27-2)22-23-18(14-16-7-5-6-12-25(16)23)17-8-3-4-9-19(17)24-22/h3-14H,1-2H3
InChIKeyKAOSPWHWFRJEEC-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.32
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline

6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline (PubChem CID 118970873) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline
PubChem CID118970873
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline
SMILESCOc1ccc(-c2nc3ccccc3c3cc4ccccn4c23)cc1OC
InChIInChI=1S/C23H18N2O2/c1-26-20-11-10-15(13-21(20)27-2)22-23-18(14-16-7-5-6-12-25(16)23)17-8-3-4-9-19(17)24-22/h3-14H,1-2H3
InChIKeyKAOSPWHWFRJEEC-UHFFFAOYSA-N
XLogP5.32
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline?
The IUPAC name of 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline (CID 118970873) is 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline is COc1ccc(-c2nc3ccccc3c3cc4ccccn4c23)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline?
The InChIKey is KAOSPWHWFRJEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-26-20-11-10-15(13-21(20)27-2)22-23-18(14-16-7-5-6-12-25(16)23)17-8-3-4-9-19(17)24-22/h3-14H,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline?
6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline has a molecular weight of 354.41 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline is sourced from PubChem (CID 118970873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).