3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine

C24H16N4 — CID 134171104

IUPAC3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine
SMILESc1cnc2ncc(-c3cc4ccc(-c5cc6ccccc6[nH]5)cn4c3)cc2c1
InChIInChI=1S/C24H16N4/c1-2-6-22-16(4-1)12-23(27-22)18-7-8-21-11-20(15-28(21)14-18)19-10-17-5-3-9-25-24(17)26-13-19/h1-15,27H
InChIKeyQPSNNYKXMMRMRP-UHFFFAOYSA-N
MW360.42 g/mol
LogP5.70
Rot. Bonds2

About 3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine

3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine (PubChem CID 134171104) has the molecular formula C24H16N4 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine
PubChem CID134171104
Molecular FormulaC24H16N4
Molecular Weight360.42 g/mol
Exact Mass360.14
IUPAC Name3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine
SMILESc1cnc2ncc(-c3cc4ccc(-c5cc6ccccc6[nH]5)cn4c3)cc2c1
InChIInChI=1S/C24H16N4/c1-2-6-22-16(4-1)12-23(27-22)18-7-8-21-11-20(15-28(21)14-18)19-10-17-5-3-9-25-24(17)26-13-19/h1-15,27H
InChIKeyQPSNNYKXMMRMRP-UHFFFAOYSA-N
XLogP5.70
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine?
The IUPAC name of 3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine (CID 134171104) is 3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine.
What is the SMILES notation for 3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine?
The canonical SMILES for 3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine is c1cnc2ncc(-c3cc4ccc(-c5cc6ccccc6[nH]5)cn4c3)cc2c1.
What is the InChIKey of 3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine?
The InChIKey is QPSNNYKXMMRMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4/c1-2-6-22-16(4-1)12-23(27-22)18-7-8-21-11-20(15-28(21)14-18)19-10-17-5-3-9-25-24(17)26-13-19/h1-15,27H.
What are the key properties of 3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine?
3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine has a molecular weight of 360.42 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1H-indol-2-yl)indolizin-2-yl]-1,8-naphthyridine is sourced from PubChem (CID 134171104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).