1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one

C15H16N4O — CID 72937455

IUPAC1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one
SMILESCC(C)n1cnnc1Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C15H16N4O/c1-11(2)19-10-16-17-14(19)9-18-13-6-4-3-5-12(13)7-8-15(18)20/h3-8,10-11H,9H2,1-2H3
InChIKeyXYNGRIQVBXOXIW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.22
Rot. Bonds3

About 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one

1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one (PubChem CID 72937455) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one.

Molecular Properties

Compound Name1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one
PubChem CID72937455
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one
SMILESCC(C)n1cnnc1Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C15H16N4O/c1-11(2)19-10-16-17-14(19)9-18-13-6-4-3-5-12(13)7-8-15(18)20/h3-8,10-11H,9H2,1-2H3
InChIKeyXYNGRIQVBXOXIW-UHFFFAOYSA-N
XLogP2.22
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one?
The IUPAC name of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one (CID 72937455) is 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one.
What is the SMILES notation for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one?
The canonical SMILES for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one is CC(C)n1cnnc1Cn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one?
The InChIKey is XYNGRIQVBXOXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(2)19-10-16-17-14(19)9-18-13-6-4-3-5-12(13)7-8-15(18)20/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one?
1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinolin-2-one is sourced from PubChem (CID 72937455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).