(3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone

C19H18BrNO2 — CID 13400143

IUPAC(3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone
SMILESCCCc1c(C)c2ccccn2c1C(=O)c1ccc(O)c(Br)c1
InChIInChI=1S/C19H18BrNO2/c1-3-6-14-12(2)16-7-4-5-10-21(16)18(14)19(23)13-8-9-17(22)15(20)11-13/h4-5,7-11,22H,3,6H2,1-2H3
InChIKeyDLFHSCQGNVIKRH-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.90
Rot. Bonds4

About (3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone

(3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone (PubChem CID 13400143) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is (3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone
PubChem CID13400143
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name(3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone
SMILESCCCc1c(C)c2ccccn2c1C(=O)c1ccc(O)c(Br)c1
InChIInChI=1S/C19H18BrNO2/c1-3-6-14-12(2)16-7-4-5-10-21(16)18(14)19(23)13-8-9-17(22)15(20)11-13/h4-5,7-11,22H,3,6H2,1-2H3
InChIKeyDLFHSCQGNVIKRH-UHFFFAOYSA-N
XLogP4.90
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone?
The IUPAC name of (3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone (CID 13400143) is (3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone?
The canonical SMILES for (3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone is CCCc1c(C)c2ccccn2c1C(=O)c1ccc(O)c(Br)c1.
What is the InChIKey of (3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone?
The InChIKey is DLFHSCQGNVIKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-3-6-14-12(2)16-7-4-5-10-21(16)18(14)19(23)13-8-9-17(22)15(20)11-13/h4-5,7-11,22H,3,6H2,1-2H3.
What are the key properties of (3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone?
(3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone has a molecular weight of 372.26 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone is sourced from PubChem (CID 13400143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).