N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide

C21H21BrN2O3 — CID 68761187

IUPACN-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
SMILESCCOc1ccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3n2)c(Br)c1
InChIInChI=1S/C21H21BrN2O3/c1-4-26-17-7-9-20(18(22)12-17)27-21-10-6-16-11-15(5-8-19(16)24-21)13(2)23-14(3)25/h5-13H,4H2,1-3H3,(H,23,25)
InChIKeyNTQYIHODXGGFHW-UHFFFAOYSA-N
MW429.31 g/mol
LogP5.39
Rot. Bonds6

About N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide

N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide (PubChem CID 68761187) has the molecular formula C21H21BrN2O3 and a molecular weight of 429.31 g/mol. Its IUPAC name is N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
PubChem CID68761187
Molecular FormulaC21H21BrN2O3
Molecular Weight429.31 g/mol
Exact Mass428.07
IUPAC NameN-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
SMILESCCOc1ccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3n2)c(Br)c1
InChIInChI=1S/C21H21BrN2O3/c1-4-26-17-7-9-20(18(22)12-17)27-21-10-6-16-11-15(5-8-19(16)24-21)13(2)23-14(3)25/h5-13H,4H2,1-3H3,(H,23,25)
InChIKeyNTQYIHODXGGFHW-UHFFFAOYSA-N
XLogP5.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.31
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68760152
N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 68759815
N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 70833796
N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68762911
N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68758504
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide
CID 70833755
methyl N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]carbamate
CID 70834063
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride
CID 68761041
N-[1-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589
N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68761728

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide (CID 68761187) is N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide is CCOc1ccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3n2)c(Br)c1.
What is the InChIKey of N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide?
The InChIKey is NTQYIHODXGGFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3/c1-4-26-17-7-9-20(18(22)12-17)27-21-10-6-16-11-15(5-8-19(16)24-21)13(2)23-14(3)25/h5-13H,4H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide?
N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide has a molecular weight of 429.31 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide is sourced from PubChem (CID 68761187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).