N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide

C23H20N4O4 — CID 44583660

IUPACN-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cc(C)on4)ccc3C)ccnc12
InChIInChI=1S/C23H20N4O4/c1-13-7-8-16(26-23(29)19-11-14(2)31-27-19)12-21(13)30-20-9-10-24-22-17(20)5-4-6-18(22)25-15(3)28/h4-12H,1-3H3,(H,25,28)(H,26,29)
InChIKeyLPQCAWXRGIIHLW-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.84
Rot. Bonds5

About N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 44583660) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID44583660
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cc(C)on4)ccc3C)ccnc12
InChIInChI=1S/C23H20N4O4/c1-13-7-8-16(26-23(29)19-11-14(2)31-27-19)12-21(13)30-20-9-10-24-22-17(20)5-4-6-18(22)25-15(3)28/h4-12H,1-3H3,(H,25,28)(H,26,29)
InChIKeyLPQCAWXRGIIHLW-UHFFFAOYSA-N
XLogP4.84
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 44583660) is N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide is CC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cc(C)on4)ccc3C)ccnc12.
What is the InChIKey of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LPQCAWXRGIIHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-13-7-8-16(26-23(29)19-11-14(2)31-27-19)12-21(13)30-20-9-10-24-22-17(20)5-4-6-18(22)25-15(3)28/h4-12H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44583660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).