methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate

C22H25N3O3 — CID 56673156

IUPACmethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C22H25N3O3/c1-14-5-4-11-25(14)12-10-16-6-8-18-17(13-16)7-9-19(23-18)21-20(22(26)27-3)15(2)24-28-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
InChIKeyYYOMPWSMTVASEY-CQSZACIVSA-N
MW379.46 g/mol
LogP4.01
Rot. Bonds5

About methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate

methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate (PubChem CID 56673156) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate
PubChem CID56673156
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Namemethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C22H25N3O3/c1-14-5-4-11-25(14)12-10-16-6-8-18-17(13-16)7-9-19(23-18)21-20(22(26)27-3)15(2)24-28-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
InChIKeyYYOMPWSMTVASEY-CQSZACIVSA-N
XLogP4.01
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate (CID 56673156) is methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate is COC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1.
What is the InChIKey of methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate?
The InChIKey is YYOMPWSMTVASEY-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-5-4-11-25(14)12-10-16-6-8-18-17(13-16)7-9-19(23-18)21-20(22(26)27-3)15(2)24-28-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1.
What are the key properties of methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate?
methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 56673156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).