8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline

C20H25N5 — CID 133448951

IUPAC8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
SMILESCc1cccc2c(N3CCCC(c4nncn4C(C)C)C3)ccnc12
InChIInChI=1S/C20H25N5/c1-14(2)25-13-22-23-20(25)16-7-5-11-24(12-16)18-9-10-21-19-15(3)6-4-8-17(18)19/h4,6,8-10,13-14,16H,5,7,11-12H2,1-3H3
InChIKeyISPDZOGKYWYTIX-UHFFFAOYSA-N
MW335.46 g/mol
LogP4.10
Rot. Bonds3

About 8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline

8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline (PubChem CID 133448951) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
PubChem CID133448951
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
SMILESCc1cccc2c(N3CCCC(c4nncn4C(C)C)C3)ccnc12
InChIInChI=1S/C20H25N5/c1-14(2)25-13-22-23-20(25)16-7-5-11-24(12-16)18-9-10-21-19-15(3)6-4-8-17(18)19/h4,6,8-10,13-14,16H,5,7,11-12H2,1-3H3
InChIKeyISPDZOGKYWYTIX-UHFFFAOYSA-N
XLogP4.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The IUPAC name of 8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline (CID 133448951) is 8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline is Cc1cccc2c(N3CCCC(c4nncn4C(C)C)C3)ccnc12.
What is the InChIKey of 8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The InChIKey is ISPDZOGKYWYTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-14(2)25-13-22-23-20(25)16-7-5-11-24(12-16)18-9-10-21-19-15(3)6-4-8-17(18)19/h4,6,8-10,13-14,16H,5,7,11-12H2,1-3H3.
What are the key properties of 8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline has a molecular weight of 335.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 133448951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).