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

C24H30N4OS — CID 11669001

IUPAC4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine
SMILESCc1nc(N2CCOCC2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C24H30N4OS/c1-17-4-3-10-27(17)11-9-19-5-7-21-20(16-19)6-8-22(26-21)23-18(2)25-24(30-23)28-12-14-29-15-13-28/h5-8,16-17H,3-4,9-15H2,1-2H3/t17-/m1/s1
InChIKeyCGUSMFXMNDINBL-QGZVFWFLSA-N
MW422.60 g/mol
LogP4.53
Rot. Bonds5

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

4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine (PubChem CID 11669001) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is 4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine
PubChem CID11669001
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC Name4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine
SMILESCc1nc(N2CCOCC2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C24H30N4OS/c1-17-4-3-10-27(17)11-9-19-5-7-21-20(16-19)6-8-22(26-21)23-18(2)25-24(30-23)28-12-14-29-15-13-28/h5-8,16-17H,3-4,9-15H2,1-2H3/t17-/m1/s1
InChIKeyCGUSMFXMNDINBL-QGZVFWFLSA-N
XLogP4.53
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine (CID 11669001) is 4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine is Cc1nc(N2CCOCC2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1.
What is the InChIKey of 4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is CGUSMFXMNDINBL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-17-4-3-10-27(17)11-9-19-5-7-21-20(16-19)6-8-22(26-21)23-18(2)25-24(30-23)28-12-14-29-15-13-28/h5-8,16-17H,3-4,9-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine?
4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 422.60 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 11669001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).