5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C19H18N4O — CID 10245327

IUPAC5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCN(C)Cc1cccc(-c2cc3n[nH]c(=O)n3c3ccccc23)c1
InChIInChI=1S/C19H18N4O/c1-22(2)12-13-6-5-7-14(10-13)16-11-18-20-21-19(24)23(18)17-9-4-3-8-15(16)17/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyMISAZMUYXLZIOV-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.90
Rot. Bonds3

About 5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 10245327) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID10245327
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCN(C)Cc1cccc(-c2cc3n[nH]c(=O)n3c3ccccc23)c1
InChIInChI=1S/C19H18N4O/c1-22(2)12-13-6-5-7-14(10-13)16-11-18-20-21-19(24)23(18)17-9-4-3-8-15(16)17/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyMISAZMUYXLZIOV-UHFFFAOYSA-N
XLogP2.90
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 10245327) is 5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is CN(C)Cc1cccc(-c2cc3n[nH]c(=O)n3c3ccccc23)c1.
What is the InChIKey of 5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is MISAZMUYXLZIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-22(2)12-13-6-5-7-14(10-13)16-11-18-20-21-19(24)23(18)17-9-4-3-8-15(16)17/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of 5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 318.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(dimethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 10245327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).