2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide

C17H20N4O2 — CID 46960284

IUPAC2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide
SMILESCc1cc2ccccc2n2c(=O)n(CCNC(=O)C(C)C)nc12
InChIInChI=1S/C17H20N4O2/c1-11(2)16(22)18-8-9-20-17(23)21-14-7-5-4-6-13(14)10-12(3)15(21)19-20/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)
InChIKeyQWGICVHWTSRMQQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.73
Rot. Bonds4

About 2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide

2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide (PubChem CID 46960284) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide
PubChem CID46960284
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide
SMILESCc1cc2ccccc2n2c(=O)n(CCNC(=O)C(C)C)nc12
InChIInChI=1S/C17H20N4O2/c1-11(2)16(22)18-8-9-20-17(23)21-14-7-5-4-6-13(14)10-12(3)15(21)19-20/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)
InChIKeyQWGICVHWTSRMQQ-UHFFFAOYSA-N
XLogP1.73
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide (CID 46960284) is 2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide is Cc1cc2ccccc2n2c(=O)n(CCNC(=O)C(C)C)nc12.
What is the InChIKey of 2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide?
The InChIKey is QWGICVHWTSRMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(2)16(22)18-8-9-20-17(23)21-14-7-5-4-6-13(14)10-12(3)15(21)19-20/h4-7,10-11H,8-9H2,1-3H3,(H,18,22).
What are the key properties of 2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide?
2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide has a molecular weight of 312.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]propanamide is sourced from PubChem (CID 46960284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).