6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile

C22H25N5O2 — CID 164612681

IUPAC6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(N3CCC(Cc4nc(C(C)C)no4)CC3)c2c1
InChIInChI=1S/C22H25N5O2/c1-14(2)22-25-20(29-26-22)10-15-6-8-27(9-7-15)21-16(12-23)13-24-19-5-4-17(28-3)11-18(19)21/h4-5,11,13-15H,6-10H2,1-3H3
InChIKeyOIKGUIRGSMTFAP-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.08
Rot. Bonds5

About 6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile

6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 164612681) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID164612681
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(N3CCC(Cc4nc(C(C)C)no4)CC3)c2c1
InChIInChI=1S/C22H25N5O2/c1-14(2)22-25-20(29-26-22)10-15-6-8-27(9-7-15)21-16(12-23)13-24-19-5-4-17(28-3)11-18(19)21/h4-5,11,13-15H,6-10H2,1-3H3
InChIKeyOIKGUIRGSMTFAP-UHFFFAOYSA-N
XLogP4.08
TPSA88.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile (CID 164612681) is 6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile is COc1ccc2ncc(C#N)c(N3CCC(Cc4nc(C(C)C)no4)CC3)c2c1.
What is the InChIKey of 6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is OIKGUIRGSMTFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14(2)22-25-20(29-26-22)10-15-6-8-27(9-7-15)21-16(12-23)13-24-19-5-4-17(28-3)11-18(19)21/h4-5,11,13-15H,6-10H2,1-3H3.
What are the key properties of 6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile?
6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 391.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 164612681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).