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

C23H26N2O3 — CID 68763349

IUPACN-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2nc(Oc3ccc(OC(C)C)c(C)c3)ccc2c1
InChIInChI=1S/C23H26N2O3/c1-15(2)27-22-9-7-20(13-16(22)3)28-23-10-6-19-14-18(5-8-21(19)25-23)11-12-24-17(4)26/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)
InChIKeyIUGQUADEKSMCFQ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.80
Rot. Bonds7

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

N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide (PubChem CID 68763349) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
PubChem CID68763349
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2nc(Oc3ccc(OC(C)C)c(C)c3)ccc2c1
InChIInChI=1S/C23H26N2O3/c1-15(2)27-22-9-7-20(13-16(22)3)28-23-10-6-19-14-18(5-8-21(19)25-23)11-12-24-17(4)26/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)
InChIKeyIUGQUADEKSMCFQ-UHFFFAOYSA-N
XLogP4.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide (CID 68763349) is N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide is CC(=O)NCCc1ccc2nc(Oc3ccc(OC(C)C)c(C)c3)ccc2c1.
What is the InChIKey of N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide?
The InChIKey is IUGQUADEKSMCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(2)27-22-9-7-20(13-16(22)3)28-23-10-6-19-14-18(5-8-21(19)25-23)11-12-24-17(4)26/h5-10,13-15H,11-12H2,1-4H3,(H,24,26).
What are the key properties of N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide?
N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide is sourced from PubChem (CID 68763349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).