2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide

C18H15BrN2O3 — CID 175975800

IUPAC2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide
SMILESCOc1cc(CC(N)=O)cc(Oc2ccnc3ccc(Br)cc23)c1
InChIInChI=1S/C18H15BrN2O3/c1-23-13-6-11(8-18(20)22)7-14(10-13)24-17-4-5-21-16-3-2-12(19)9-15(16)17/h2-7,9-10H,8H2,1H3,(H2,20,22)
InChIKeyAWQYEPIGIVFXIW-UHFFFAOYSA-N
MW387.23 g/mol
LogP3.83
Rot. Bonds5

About 2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide

2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide (PubChem CID 175975800) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide
PubChem CID175975800
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide
SMILESCOc1cc(CC(N)=O)cc(Oc2ccnc3ccc(Br)cc23)c1
InChIInChI=1S/C18H15BrN2O3/c1-23-13-6-11(8-18(20)22)7-14(10-13)24-17-4-5-21-16-3-2-12(19)9-15(16)17/h2-7,9-10H,8H2,1H3,(H2,20,22)
InChIKeyAWQYEPIGIVFXIW-UHFFFAOYSA-N
XLogP3.83
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide?
The IUPAC name of 2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide (CID 175975800) is 2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide.
What is the SMILES notation for 2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide?
The canonical SMILES for 2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide is COc1cc(CC(N)=O)cc(Oc2ccnc3ccc(Br)cc23)c1.
What is the InChIKey of 2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide?
The InChIKey is AWQYEPIGIVFXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-23-13-6-11(8-18(20)22)7-14(10-13)24-17-4-5-21-16-3-2-12(19)9-15(16)17/h2-7,9-10H,8H2,1H3,(H2,20,22).
What are the key properties of 2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide?
2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide has a molecular weight of 387.23 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide is sourced from PubChem (CID 175975800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).