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

C23H27N3O3 — CID 46890640

IUPACethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C23H27N3O3/c1-4-28-23(27)21-16(3)25-29-22(21)20-10-8-18-14-17(7-9-19(18)24-20)11-13-26-12-5-6-15(26)2/h7-10,14-15H,4-6,11-13H2,1-3H3/t15-/m1/s1
InChIKeySTCHMMQIQVRPTC-OAHLLOKOSA-N
MW393.49 g/mol
LogP4.40
Rot. Bonds6

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

ethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate (PubChem CID 46890640) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is ethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate
PubChem CID46890640
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Nameethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C23H27N3O3/c1-4-28-23(27)21-16(3)25-29-22(21)20-10-8-18-14-17(7-9-19(18)24-20)11-13-26-12-5-6-15(26)2/h7-10,14-15H,4-6,11-13H2,1-3H3/t15-/m1/s1
InChIKeySTCHMMQIQVRPTC-OAHLLOKOSA-N
XLogP4.40
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate (CID 46890640) is ethyl 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 ethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1.
What is the InChIKey of ethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate?
The InChIKey is STCHMMQIQVRPTC-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-28-23(27)21-16(3)25-29-22(21)20-10-8-18-14-17(7-9-19(18)24-20)11-13-26-12-5-6-15(26)2/h7-10,14-15H,4-6,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of ethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate?
ethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 46890640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).