[2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone

C22H18N2O3 — CID 2327083

IUPAC[2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(-c2cc3ccccn3c2C(=O)c2cccnc2)c(OC)c1
InChIInChI=1S/C22H18N2O3/c1-26-17-8-9-18(20(13-17)27-2)19-12-16-7-3-4-11-24(16)21(19)22(25)15-6-5-10-23-14-15/h3-14H,1-2H3
InChIKeyBKQAVWMYGLTNNH-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.25
Rot. Bonds5

About [2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone

[2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone (PubChem CID 2327083) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone
PubChem CID2327083
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name[2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(-c2cc3ccccn3c2C(=O)c2cccnc2)c(OC)c1
InChIInChI=1S/C22H18N2O3/c1-26-17-8-9-18(20(13-17)27-2)19-12-16-7-3-4-11-24(16)21(19)22(25)15-6-5-10-23-14-15/h3-14H,1-2H3
InChIKeyBKQAVWMYGLTNNH-UHFFFAOYSA-N
XLogP4.25
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone (CID 2327083) is [2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone is COc1ccc(-c2cc3ccccn3c2C(=O)c2cccnc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone?
The InChIKey is BKQAVWMYGLTNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-17-8-9-18(20(13-17)27-2)19-12-16-7-3-4-11-24(16)21(19)22(25)15-6-5-10-23-14-15/h3-14H,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone?
[2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone has a molecular weight of 358.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)indolizin-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 2327083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).