6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline

C32H22N2O — CID 140896166

IUPAC6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline
SMILESCOc1ccc(-c2nc3ccccc3c3cc4cc(-c5ccc6ccccc6c5)ccn4c23)cc1
InChIInChI=1S/C32H22N2O/c1-35-27-14-12-22(13-15-27)31-32-29(28-8-4-5-9-30(28)33-31)20-26-19-25(16-17-34(26)32)24-11-10-21-6-2-3-7-23(21)18-24/h2-20H,1H3
InChIKeyVLLMNGWEVFWDFH-UHFFFAOYSA-N
MW450.54 g/mol
LogP8.14
Rot. Bonds3

About 6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline

6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline (PubChem CID 140896166) has the molecular formula C32H22N2O and a molecular weight of 450.54 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline
PubChem CID140896166
Molecular FormulaC32H22N2O
Molecular Weight450.54 g/mol
Exact Mass450.17
IUPAC Name6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline
SMILESCOc1ccc(-c2nc3ccccc3c3cc4cc(-c5ccc6ccccc6c5)ccn4c23)cc1
InChIInChI=1S/C32H22N2O/c1-35-27-14-12-22(13-15-27)31-32-29(28-8-4-5-9-30(28)33-31)20-26-19-25(16-17-34(26)32)24-11-10-21-6-2-3-7-23(21)18-24/h2-20H,1H3
InChIKeyVLLMNGWEVFWDFH-UHFFFAOYSA-N
XLogP8.14
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline?
The IUPAC name of 6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline (CID 140896166) is 6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline.
What is the SMILES notation for 6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline?
The canonical SMILES for 6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline is COc1ccc(-c2nc3ccccc3c3cc4cc(-c5ccc6ccccc6c5)ccn4c23)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline?
The InChIKey is VLLMNGWEVFWDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2O/c1-35-27-14-12-22(13-15-27)31-32-29(28-8-4-5-9-30(28)33-31)20-26-19-25(16-17-34(26)32)24-11-10-21-6-2-3-7-23(21)18-24/h2-20H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline?
6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline has a molecular weight of 450.54 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-10-naphthalen-2-ylindolizino[3,2-c]quinoline is sourced from PubChem (CID 140896166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).