[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone

C22H16ClNO2 — CID 4067347

IUPAC[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1
InChIInChI=1S/C22H16ClNO2/c1-26-19-7-4-5-16(13-19)22(25)21-20(15-8-10-17(23)11-9-15)14-18-6-2-3-12-24(18)21/h2-14H,1H3
InChIKeyUUBVGLVFUDNPKS-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.50
Rot. Bonds4

About [2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone

[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone (PubChem CID 4067347) has the molecular formula C22H16ClNO2 and a molecular weight of 361.83 g/mol. Its IUPAC name is [2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone
PubChem CID4067347
Molecular FormulaC22H16ClNO2
Molecular Weight361.83 g/mol
Exact Mass361.09
IUPAC Name[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1
InChIInChI=1S/C22H16ClNO2/c1-26-19-7-4-5-16(13-19)22(25)21-20(15-8-10-17(23)11-9-15)14-18-6-2-3-12-24(18)21/h2-14H,1H3
InChIKeyUUBVGLVFUDNPKS-UHFFFAOYSA-N
XLogP5.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 8707554
(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 2359773
sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate
CID 23670330
3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide
CID 2327212
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
CID 2582016
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(4-chloro-3-nitrophenyl)-[2-(3-nitrophenyl)indolizin-3-yl]methanone
CID 34063994
[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone
CID 19021727
(6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone
CID 5305001
2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate
CID 45034959

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone (CID 4067347) is [2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1.
What is the InChIKey of [2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone?
The InChIKey is UUBVGLVFUDNPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO2/c1-26-19-7-4-5-16(13-19)22(25)21-20(15-8-10-17(23)11-9-15)14-18-6-2-3-12-24(18)21/h2-14H,1H3.
What are the key properties of [2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone?
[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone has a molecular weight of 361.83 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 4067347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).