N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide

C23H25BrN2O3 — CID 70833796

IUPACN-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC(C)C)c(Br)c3)ccc2c1
InChIInChI=1S/C23H25BrN2O3/c1-14(2)13-28-22-9-7-19(12-20(22)24)29-23-10-6-18-11-17(5-8-21(18)26-23)15(3)25-16(4)27/h5-12,14-15H,13H2,1-4H3,(H,25,27)
InChIKeyXCXUVSFTNKSCKS-UHFFFAOYSA-N
MW457.37 g/mol
LogP6.02
Rot. Bonds7

About N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide

N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide (PubChem CID 70833796) has the molecular formula C23H25BrN2O3 and a molecular weight of 457.37 g/mol. Its IUPAC name is N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
PubChem CID70833796
Molecular FormulaC23H25BrN2O3
Molecular Weight457.37 g/mol
Exact Mass456.10
IUPAC NameN-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC(C)C)c(Br)c3)ccc2c1
InChIInChI=1S/C23H25BrN2O3/c1-14(2)13-28-22-9-7-19(12-20(22)24)29-23-10-6-18-11-17(5-8-21(18)26-23)15(3)25-16(4)27/h5-12,14-15H,13H2,1-4H3,(H,25,27)
InChIKeyXCXUVSFTNKSCKS-UHFFFAOYSA-N
XLogP6.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.37
LogP ≤ 56.02
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-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68761187
N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 68759815
N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68758504
N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68762911
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-[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-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589
N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68761728
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide (CID 70833796) is N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC(C)C)c(Br)c3)ccc2c1.
What is the InChIKey of N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide?
The InChIKey is XCXUVSFTNKSCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O3/c1-14(2)13-28-22-9-7-19(12-20(22)24)29-23-10-6-18-11-17(5-8-21(18)26-23)15(3)25-16(4)27/h5-12,14-15H,13H2,1-4H3,(H,25,27).
What are the key properties of N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide?
N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide has a molecular weight of 457.37 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide is sourced from PubChem (CID 70833796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).