(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C24H21NO4 — CID 2359773

IUPAC(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-c3ccccc3)cc3ccccn23)cc(OC)c1OC
InChIInChI=1S/C24H21NO4/c1-27-20-13-17(14-21(28-2)24(20)29-3)23(26)22-19(16-9-5-4-6-10-16)15-18-11-7-8-12-25(18)22/h4-15H,1-3H3
InChIKeyOJUOOAPGSSWVCY-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.86
Rot. Bonds6

About (2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 2359773) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID2359773
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-c3ccccc3)cc3ccccn23)cc(OC)c1OC
InChIInChI=1S/C24H21NO4/c1-27-20-13-17(14-21(28-2)24(20)29-3)23(26)22-19(16-9-5-4-6-10-16)15-18-11-7-8-12-25(18)22/h4-15H,1-3H3
InChIKeyOJUOOAPGSSWVCY-UHFFFAOYSA-N
XLogP4.86
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyindolizin-3-yl)-phenylmethanone
CID 156847197
[3,5-dichloro-4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
CID 13029587
[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
N-ethyl-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 2371420
3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide
CID 2327212
(6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone
CID 5305001
[1-(2-fluorophenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171355925
[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155522430
ethyl 2,4-dioxo-4-(2-phenylindolizin-3-yl)butanoate
CID 13156241
[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357621
3,4,5-trimethoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3378236

Frequently Asked Questions

What is the IUPAC name of (2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 2359773) is (2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(-c3ccccc3)cc3ccccn23)cc(OC)c1OC.
What is the InChIKey of (2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OJUOOAPGSSWVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-27-20-13-17(14-21(28-2)24(20)29-3)23(26)22-19(16-9-5-4-6-10-16)15-18-11-7-8-12-25(18)22/h4-15H,1-3H3.
What are the key properties of (2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 387.44 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 2359773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).