2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one

C19H24N4O2 — CID 46964678

IUPAC2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1cc(C)c2cc(CNCC3CCCO3)c3nn(C)c(=O)n3c2c1
InChIInChI=1S/C19H24N4O2/c1-12-7-13(2)16-9-14(10-20-11-15-5-4-6-25-15)18-21-22(3)19(24)23(18)17(16)8-12/h7-9,15,20H,4-6,10-11H2,1-3H3
InChIKeySCXLBWFSILKIAU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.07
Rot. Bonds4

About 2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one

2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 46964678) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID46964678
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1cc(C)c2cc(CNCC3CCCO3)c3nn(C)c(=O)n3c2c1
InChIInChI=1S/C19H24N4O2/c1-12-7-13(2)16-9-14(10-20-11-15-5-4-6-25-15)18-21-22(3)19(24)23(18)17(16)8-12/h7-9,15,20H,4-6,10-11H2,1-3H3
InChIKeySCXLBWFSILKIAU-UHFFFAOYSA-N
XLogP2.07
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 46964678) is 2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one is Cc1cc(C)c2cc(CNCC3CCCO3)c3nn(C)c(=O)n3c2c1.
What is the InChIKey of 2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is SCXLBWFSILKIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-7-13(2)16-9-14(10-20-11-15-5-4-6-25-15)18-21-22(3)19(24)23(18)17(16)8-12/h7-9,15,20H,4-6,10-11H2,1-3H3.
What are the key properties of 2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one?
2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 46964678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).