[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone

C22H29N3O2S — CID 11718271

IUPAC[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCSCC4)ccc3c2)CC1
InChIInChI=1S/C22H29N3O2S/c1-16(2)24-9-7-18(8-10-24)27-19-4-6-20-17(15-19)3-5-21(23-20)22(26)25-11-13-28-14-12-25/h3-6,15-16,18H,7-14H2,1-2H3
InChIKeyKJBQCLSJMNEBBG-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.68
Rot. Bonds4

About [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone

[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 11718271) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID11718271
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCSCC4)ccc3c2)CC1
InChIInChI=1S/C22H29N3O2S/c1-16(2)24-9-7-18(8-10-24)27-19-4-6-20-17(15-19)3-5-21(23-20)22(26)25-11-13-28-14-12-25/h3-6,15-16,18H,7-14H2,1-2H3
InChIKeyKJBQCLSJMNEBBG-UHFFFAOYSA-N
XLogP3.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone (CID 11718271) is [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone is CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCSCC4)ccc3c2)CC1.
What is the InChIKey of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is KJBQCLSJMNEBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-16(2)24-9-7-18(8-10-24)27-19-4-6-20-17(15-19)3-5-21(23-20)22(26)25-11-13-28-14-12-25/h3-6,15-16,18H,7-14H2,1-2H3.
What are the key properties of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone?
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 399.56 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 11718271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).