N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide

C25H23N3O3 — CID 68758504

IUPACN-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(Oc3ccc(Oc4ccccn4)c(C)c3)ccc2c1
InChIInChI=1S/C25H23N3O3/c1-16-14-21(9-11-23(16)31-24-6-4-5-13-26-24)30-25-12-8-20-15-19(7-10-22(20)28-25)17(2)27-18(3)29/h4-15,17H,1-3H3,(H,27,29)
InChIKeyHEEACTFCSZVQBB-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.72
Rot. Bonds6

About N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide

N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide (PubChem CID 68758504) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
PubChem CID68758504
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(Oc3ccc(Oc4ccccn4)c(C)c3)ccc2c1
InChIInChI=1S/C25H23N3O3/c1-16-14-21(9-11-23(16)31-24-6-4-5-13-26-24)30-25-12-8-20-15-19(7-10-22(20)28-25)17(2)27-18(3)29/h4-15,17H,1-3H3,(H,27,29)
InChIKeyHEEACTFCSZVQBB-UHFFFAOYSA-N
XLogP5.72
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68762911
N-[1-[2-(3-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68760152
N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 70833796
2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde
CID 87563485
N-ethyl-2-(2-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-amine
CID 68760967
N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68761187
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-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 68759815
N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68763349
(E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473299
3-(2-methylphenyl)-N-[(1S)-1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 91235343

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide (CID 68758504) is N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2nc(Oc3ccc(Oc4ccccn4)c(C)c3)ccc2c1.
What is the InChIKey of N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide?
The InChIKey is HEEACTFCSZVQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-14-21(9-11-23(16)31-24-6-4-5-13-26-24)30-25-12-8-20-15-19(7-10-22(20)28-25)17(2)27-18(3)29/h4-15,17H,1-3H3,(H,27,29).
What are the key properties of N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide?
N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide has a molecular weight of 413.48 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide is sourced from PubChem (CID 68758504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).