N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide

C21H20FN3O3 — CID 4783267

IUPACN-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide
SMILESCc1ccc2cccc(OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)c2n1
InChIInChI=1S/C21H20FN3O3/c1-14-6-7-15-4-3-5-18(21(15)23-14)28-13-20(27)25(2)12-19(26)24-17-10-8-16(22)9-11-17/h3-11H,12-13H2,1-2H3,(H,24,26)
InChIKeyIIHZZMLNKOWNHZ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.16
Rot. Bonds6

About N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide

N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide (PubChem CID 4783267) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide
PubChem CID4783267
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide
SMILESCc1ccc2cccc(OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)c2n1
InChIInChI=1S/C21H20FN3O3/c1-14-6-7-15-4-3-5-18(21(15)23-14)28-13-20(27)25(2)12-19(26)24-17-10-8-16(22)9-11-17/h3-11H,12-13H2,1-2H3,(H,24,26)
InChIKeyIIHZZMLNKOWNHZ-UHFFFAOYSA-N
XLogP3.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide (CID 4783267) is N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide is Cc1ccc2cccc(OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)c2n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide?
The InChIKey is IIHZZMLNKOWNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-6-7-15-4-3-5-18(21(15)23-14)28-13-20(27)25(2)12-19(26)24-17-10-8-16(22)9-11-17/h3-11H,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide has a molecular weight of 381.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide is sourced from PubChem (CID 4783267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).