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

C22H25N3O3 — CID 46890639

IUPACethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1
InChIInChI=1S/C22H25N3O3/c1-3-27-22(26)20-14-21(28-24-20)19-9-7-17-13-16(6-8-18(17)23-19)10-12-25-11-4-5-15(25)2/h6-9,13-15H,3-5,10-12H2,1-2H3/t15-/m1/s1
InChIKeyYFORIZAFPLSIPG-OAHLLOKOSA-N
MW379.46 g/mol
LogP4.09
Rot. Bonds6

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

ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 46890639) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID46890639
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Nameethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1
InChIInChI=1S/C22H25N3O3/c1-3-27-22(26)20-14-21(28-24-20)19-9-7-17-13-16(6-8-18(17)23-19)10-12-25-11-4-5-15(25)2/h6-9,13-15H,3-5,10-12H2,1-2H3/t15-/m1/s1
InChIKeyYFORIZAFPLSIPG-OAHLLOKOSA-N
XLogP4.09
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate (CID 46890639) is ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1.
What is the InChIKey of ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is YFORIZAFPLSIPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-27-22(26)20-14-21(28-24-20)19-9-7-17-13-16(6-8-18(17)23-19)10-12-25-11-4-5-15(25)2/h6-9,13-15H,3-5,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 46890639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).