4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide

C27H28N6O2 — CID 56664981

IUPAC4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C27H28N6O2/c34-27(29-17-24-21-7-3-1-5-18(21)11-14-28-24)33-15-12-20(13-16-33)26-31-25(32-35-26)23-10-9-19-6-2-4-8-22(19)30-23/h1-10,20,24,28H,11-17H2,(H,29,34)
InChIKeyMEVQGCOXDGMFDG-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.06
Rot. Bonds4

About 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide

4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 56664981) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID56664981
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C27H28N6O2/c34-27(29-17-24-21-7-3-1-5-18(21)11-14-28-24)33-15-12-20(13-16-33)26-31-25(32-35-26)23-10-9-19-6-2-4-8-22(19)30-23/h1-10,20,24,28H,11-17H2,(H,29,34)
InChIKeyMEVQGCOXDGMFDG-UHFFFAOYSA-N
XLogP4.06
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide (CID 56664981) is 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide is O=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is MEVQGCOXDGMFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c34-27(29-17-24-21-7-3-1-5-18(21)11-14-28-24)33-15-12-20(13-16-33)26-31-25(32-35-26)23-10-9-19-6-2-4-8-22(19)30-23/h1-10,20,24,28H,11-17H2,(H,29,34).
What are the key properties of 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide?
4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 56664981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).