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

C19H26N4O2 — CID 46964683

IUPAC4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCCOCCCNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12
InChIInChI=1S/C19H26N4O2/c1-5-25-8-6-7-20-12-15-11-16-14(3)9-13(2)10-17(16)23-18(15)21-22(4)19(23)24/h9-11,20H,5-8,12H2,1-4H3
InChIKeyIQULXFYKLHMGKK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.32
Rot. Bonds7

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

4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 46964683) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID46964683
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCCOCCCNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12
InChIInChI=1S/C19H26N4O2/c1-5-25-8-6-7-20-12-15-11-16-14(3)9-13(2)10-17(16)23-18(15)21-22(4)19(23)24/h9-11,20H,5-8,12H2,1-4H3
InChIKeyIQULXFYKLHMGKK-UHFFFAOYSA-N
XLogP2.32
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 46964683) is 4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one is CCOCCCNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12.
What is the InChIKey of 4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is IQULXFYKLHMGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-25-8-6-7-20-12-15-11-16-14(3)9-13(2)10-17(16)23-18(15)21-22(4)19(23)24/h9-11,20H,5-8,12H2,1-4H3.
What are the key properties of 4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxypropylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 46964683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).