(7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H21NO5 — CID 52951491

IUPAC(7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccn2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)cc2c1
InChIInChI=1S/C20H21NO5/c1-12-8-14-11-15(23-2)6-7-21(14)18(12)19(22)13-9-16(24-3)20(26-5)17(10-13)25-4/h6-11H,1-5H3
InChIKeyDSEPAQWNNVVFPT-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.51
Rot. Bonds6

About (7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 52951491) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID52951491
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccn2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)cc2c1
InChIInChI=1S/C20H21NO5/c1-12-8-14-11-15(23-2)6-7-21(14)18(12)19(22)13-9-16(24-3)20(26-5)17(10-13)25-4/h6-11H,1-5H3
InChIKeyDSEPAQWNNVVFPT-UHFFFAOYSA-N
XLogP3.51
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 52951491) is (7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccn2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)cc2c1.
What is the InChIKey of (7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is DSEPAQWNNVVFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-12-8-14-11-15(23-2)6-7-21(14)18(12)19(22)13-9-16(24-3)20(26-5)17(10-13)25-4/h6-11H,1-5H3.
What are the key properties of (7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 355.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 52951491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).