4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol

C23H22N4O3 — CID 166456502

IUPAC4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5ccc(O)cc5)no4)CC3)nc12
InChIInChI=1S/C23H22N4O3/c1-29-19-4-2-3-15-7-10-20(24-21(15)19)27-13-11-17(12-14-27)23-25-22(26-30-23)16-5-8-18(28)9-6-16/h2-10,17,28H,11-14H2,1H3
InChIKeyVCHUBSQOMZWGLC-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.38
Rot. Bonds4

About 4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol

4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 166456502) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID166456502
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5ccc(O)cc5)no4)CC3)nc12
InChIInChI=1S/C23H22N4O3/c1-29-19-4-2-3-15-7-10-20(24-21(15)19)27-13-11-17(12-14-27)23-25-22(26-30-23)16-5-8-18(28)9-6-16/h2-10,17,28H,11-14H2,1H3
InChIKeyVCHUBSQOMZWGLC-UHFFFAOYSA-N
XLogP4.38
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol (CID 166456502) is 4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol is COc1cccc2ccc(N3CCC(c4nc(-c5ccc(O)cc5)no4)CC3)nc12.
What is the InChIKey of 4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is VCHUBSQOMZWGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-19-4-2-3-15-7-10-20(24-21(15)19)27-13-11-17(12-14-27)23-25-22(26-30-23)16-5-8-18(28)9-6-16/h2-10,17,28H,11-14H2,1H3.
What are the key properties of 4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 402.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 166456502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).