6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline

C24H20N2O2 — CID 118970823

IUPAC6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline
SMILESCOc1ccc(-c2nc3ccccc3c3cc4c(C)cccn4c23)cc1OC
InChIInChI=1S/C24H20N2O2/c1-15-7-6-12-26-20(15)14-18-17-8-4-5-9-19(17)25-23(24(18)26)16-10-11-21(27-2)22(13-16)28-3/h4-14H,1-3H3
InChIKeyPZEPGLZKKFWZKZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.63
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline

6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline (PubChem CID 118970823) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline
PubChem CID118970823
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline
SMILESCOc1ccc(-c2nc3ccccc3c3cc4c(C)cccn4c23)cc1OC
InChIInChI=1S/C24H20N2O2/c1-15-7-6-12-26-20(15)14-18-17-8-4-5-9-19(17)25-23(24(18)26)16-10-11-21(27-2)22(13-16)28-3/h4-14H,1-3H3
InChIKeyPZEPGLZKKFWZKZ-UHFFFAOYSA-N
XLogP5.63
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.63
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)-11-methylindolizino[3,2-c]quinoline?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline (CID 118970823) is 6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline is COc1ccc(-c2nc3ccccc3c3cc4c(C)cccn4c23)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline?
The InChIKey is PZEPGLZKKFWZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-15-7-6-12-26-20(15)14-18-17-8-4-5-9-19(17)25-23(24(18)26)16-10-11-21(27-2)22(13-16)28-3/h4-14H,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline?
6-(3,4-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline has a molecular weight of 368.44 g/mol, XLogP of 5.63, 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)-11-methylindolizino[3,2-c]quinoline is sourced from PubChem (CID 118970823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).