(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

C24H28N4O2S — CID 86264475

IUPAC(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCc1ccc2cccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)c2n1
InChIInChI=1S/C24H28N4O2S/c1-17-5-6-18-3-2-4-21(22(18)26-17)23(29)28-12-7-19(8-13-28)27-14-9-20(10-15-27)30-24-25-11-16-31-24/h2-6,11,16,19-20H,7-10,12-15H2,1H3
InChIKeyDJBGQTPVXJRTNL-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.15
Rot. Bonds4

About (2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 86264475) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is (2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID86264475
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCc1ccc2cccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)c2n1
InChIInChI=1S/C24H28N4O2S/c1-17-5-6-18-3-2-4-21(22(18)26-17)23(29)28-12-7-19(8-13-28)27-14-9-20(10-15-27)30-24-25-11-16-31-24/h2-6,11,16,19-20H,7-10,12-15H2,1H3
InChIKeyDJBGQTPVXJRTNL-UHFFFAOYSA-N
XLogP4.15
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 86264475) is (2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is Cc1ccc2cccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is DJBGQTPVXJRTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-17-5-6-18-3-2-4-21(22(18)26-17)23(29)28-12-7-19(8-13-28)27-14-9-20(10-15-27)30-24-25-11-16-31-24/h2-6,11,16,19-20H,7-10,12-15H2,1H3.
What are the key properties of (2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 436.58 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 86264475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).