3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one

C18H20N4O4 — CID 14281039

IUPAC3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CC(COc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)OC1=O
InChIInChI=1S/C18H20N4O4/c1-18(2,3)22-8-12(26-17(22)24)9-25-11-4-5-13-10(6-11)7-14-15(19-13)21-16(23)20-14/h4-7,12H,8-9H2,1-3H3,(H2,19,20,21,23)
InChIKeyYVEQUTSPFYJJAS-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.40
Rot. Bonds3

About 3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one

3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 14281039) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one
PubChem CID14281039
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CC(COc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)OC1=O
InChIInChI=1S/C18H20N4O4/c1-18(2,3)22-8-12(26-17(22)24)9-25-11-4-5-13-10(6-11)7-14-15(19-13)21-16(23)20-14/h4-7,12H,8-9H2,1-3H3,(H2,19,20,21,23)
InChIKeyYVEQUTSPFYJJAS-UHFFFAOYSA-N
XLogP2.40
TPSA100.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one (CID 14281039) is 3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one is CC(C)(C)N1CC(COc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)OC1=O.
What is the InChIKey of 3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is YVEQUTSPFYJJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-18(2,3)22-8-12(26-17(22)24)9-25-11-4-5-13-10(6-11)7-14-15(19-13)21-16(23)20-14/h4-7,12H,8-9H2,1-3H3,(H2,19,20,21,23).
What are the key properties of 3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one?
3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 356.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14281039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).