(5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one

C22H22N2O5 — CID 71244626

IUPAC(5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc1C(C)O
InChIInChI=1S/C22H22N2O5/c1-13(25)18-8-14(5-6-20(18)27-2)15-9-19-17(4-3-7-23-19)21(10-15)28-12-16-11-24-22(26)29-16/h3-10,13,16,25H,11-12H2,1-2H3,(H,24,26)/t13?,16-/m1/s1
InChIKeyQLUYAFYPECPEAX-FQNRMIAFSA-N
MW394.43 g/mol
LogP3.45
Rot. Bonds6

About (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one

(5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 71244626) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID71244626
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name(5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc1C(C)O
InChIInChI=1S/C22H22N2O5/c1-13(25)18-8-14(5-6-20(18)27-2)15-9-19-17(4-3-7-23-19)21(10-15)28-12-16-11-24-22(26)29-16/h3-10,13,16,25H,11-12H2,1-2H3,(H,24,26)/t13?,16-/m1/s1
InChIKeyQLUYAFYPECPEAX-FQNRMIAFSA-N
XLogP3.45
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 58072003
(4R)-4-[(1R)-1-[7-(6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71237900
(R)-4-((R)-1-(7-phenylquinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71237983
(R)-4-((R)-1-(7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238155
(R)-4-((R)-1-(7-(3,4,5-trimethoxyphenyl)quinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238463
(4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241892
(4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241896
(4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241912
N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
CID 71241920
6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one
CID 71241923
N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
CID 71241927
(4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241933

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (CID 71244626) is (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is COc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc1C(C)O.
What is the InChIKey of (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is QLUYAFYPECPEAX-FQNRMIAFSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-13(25)18-8-14(5-6-20(18)27-2)15-9-19-17(4-3-7-23-19)21(10-15)28-12-16-11-24-22(26)29-16/h3-10,13,16,25H,11-12H2,1-2H3,(H,24,26)/t13?,16-/m1/s1.
What are the key properties of (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
(5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 394.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[7-[3-(1-hydroxyethyl)-4-methoxyphenyl]quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71244626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).