[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone

C20H18N6O2 — CID 118471185

IUPAC[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone
SMILESCc1cc(C2CN(C(=O)c3ccc4ncccc4c3)CCO2)n2ncnc2n1
InChIInChI=1S/C20H18N6O2/c1-13-9-17(26-20(24-13)22-12-23-26)18-11-25(7-8-28-18)19(27)15-4-5-16-14(10-15)3-2-6-21-16/h2-6,9-10,12,18H,7-8,11H2,1H3
InChIKeyBXCIIWLMBJELOU-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.19
Rot. Bonds2

About [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone

[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone (PubChem CID 118471185) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone
PubChem CID118471185
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone
SMILESCc1cc(C2CN(C(=O)c3ccc4ncccc4c3)CCO2)n2ncnc2n1
InChIInChI=1S/C20H18N6O2/c1-13-9-17(26-20(24-13)22-12-23-26)18-11-25(7-8-28-18)19(27)15-4-5-16-14(10-15)3-2-6-21-16/h2-6,9-10,12,18H,7-8,11H2,1H3
InChIKeyBXCIIWLMBJELOU-UHFFFAOYSA-N
XLogP2.19
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The IUPAC name of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone (CID 118471185) is [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone is Cc1cc(C2CN(C(=O)c3ccc4ncccc4c3)CCO2)n2ncnc2n1.
What is the InChIKey of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The InChIKey is BXCIIWLMBJELOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-9-17(26-20(24-13)22-12-23-26)18-11-25(7-8-28-18)19(27)15-4-5-16-14(10-15)3-2-6-21-16/h2-6,9-10,12,18H,7-8,11H2,1H3.
What are the key properties of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone has a molecular weight of 374.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 118471185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).