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

C21H23N3O3 — CID 56669644

IUPACmethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1
InChIInChI=1S/C21H23N3O3/c1-14-4-3-10-24(14)11-9-15-5-7-17-16(12-15)6-8-18(22-17)20-13-19(23-27-20)21(25)26-2/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyXDOIAYJZSYKQCS-CQSZACIVSA-N
MW365.43 g/mol
LogP3.70
Rot. Bonds5

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

methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 56669644) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID56669644
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namemethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1
InChIInChI=1S/C21H23N3O3/c1-14-4-3-10-24(14)11-9-15-5-7-17-16(12-15)6-8-18(22-17)20-13-19(23-27-20)21(25)26-2/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyXDOIAYJZSYKQCS-CQSZACIVSA-N
XLogP3.70
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(R)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-3-phenylisoxazole
CID 11582059
(R)-ethyl 3-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole-4-carboxylate
CID 46890640
methyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate
CID 56673156
(R)-3-bromo-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole
CID 25156477
(R)-ethyl 5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole-3-carboxylate
CID 46890639
ethyl 5-[(Z)-2-(4-quinolyl)vinyl]isoxazole-3-carboxylate
CID 44549330
E-Ethyl 5-[2-(4-quinolinyl)ethenyl]-3-isoxazolecarboxylate
CID 44549331
E-Ethyl 5-[2-(6-quinolinyl)ethenyl]-3-isoxazolecarboxylate
CID 44549334
(R)-3-(4-chlorophenyl)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole
CID 46890090
Ethyl 5-[2-(4-quinolyl)ethyl]isoxazole-3-carboxylate
CID 44549332
ethyl 5-[(Z)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate
CID 44549333
E-Ethyl 5-[2-[2,8-bis(trifluoromethyl)-4-quinolinyl]ethenyl]-3-isoxazolecarboxylate
CID 44549335

Frequently Asked Questions

What is the IUPAC name of methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate (CID 56669644) is methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1.
What is the InChIKey of methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is XDOIAYJZSYKQCS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-4-3-10-24(14)11-9-15-5-7-17-16(12-15)6-8-18(22-17)20-13-19(23-27-20)21(25)26-2/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate?
methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 56669644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).