(6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H21NO5 — CID 52951490

IUPAC(6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)cn2c1
InChIInChI=1S/C20H21NO5/c1-12-10-21-11-14(23-2)6-7-15(21)18(12)19(22)13-8-16(24-3)20(26-5)17(9-13)25-4/h6-11H,1-5H3
InChIKeyFWUPKAVKWPSTGY-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.51
Rot. Bonds6

About (6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 52951490) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID52951490
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)cn2c1
InChIInChI=1S/C20H21NO5/c1-12-10-21-11-14(23-2)6-7-15(21)18(12)19(22)13-8-16(24-3)20(26-5)17(9-13)25-4/h6-11H,1-5H3
InChIKeyFWUPKAVKWPSTGY-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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Related Compounds

Bpr-0L075
CID 10359957
(1-methyl-1H-indol-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 17756418
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide
CID 71604853
[1-(3-Aminophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 102340756
Methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
1-{1-[2-(3-Methoxy-phenoxy)-ethyl]-1H-indol-3-yl}-ethanone
CID 973989
3,4,5-Trimethoxy-15-methyl-15-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaen-10-one
CID 71469541
(E)-3-(Indol-3-yl)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 9927763
[6-Methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 10071452
(7-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10246680
[6-Methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 10343852
(6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10381899

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 52951490) is (6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)cn2c1.
What is the InChIKey of (6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FWUPKAVKWPSTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-12-10-21-11-14(23-2)6-7-15(21)18(12)19(22)13-8-16(24-3)20(26-5)17(9-13)25-4/h6-11H,1-5H3.
What are the key properties of (6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-methoxy-2-methylindolizin-1-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 (6-methoxy-2-methylindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 52951490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).