2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide

C21H22N2O2 — CID 110437464

IUPAC2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
SMILESCC(C)(C)Oc1ccc(CC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C21H22N2O2/c1-21(2,3)25-17-11-9-15(10-12-17)14-19(24)23-18-8-4-6-16-7-5-13-22-20(16)18/h4-13H,14H2,1-3H3,(H,23,24)
InChIKeyFXZXUVKOMNVYAV-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.59
Rot. Bonds4

About 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide

2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide (PubChem CID 110437464) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
PubChem CID110437464
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
SMILESCC(C)(C)Oc1ccc(CC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C21H22N2O2/c1-21(2,3)25-17-11-9-15(10-12-17)14-19(24)23-18-8-4-6-16-7-5-13-22-20(16)18/h4-13H,14H2,1-3H3,(H,23,24)
InChIKeyFXZXUVKOMNVYAV-UHFFFAOYSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
CID 47035823
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide
CID 102136715
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
CID 51217671
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide (CID 110437464) is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide is CC(C)(C)Oc1ccc(CC(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide?
The InChIKey is FXZXUVKOMNVYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-21(2,3)25-17-11-9-15(10-12-17)14-19(24)23-18-8-4-6-16-7-5-13-22-20(16)18/h4-13H,14H2,1-3H3,(H,23,24).
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide?
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide has a molecular weight of 334.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 110437464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).