1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one

C17H17N5O2S — CID 18091330

IUPAC1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one
SMILESCc1cc2nnc(SC(C)C(=O)N3CCNC3=O)n2c2ccccc12
InChIInChI=1S/C17H17N5O2S/c1-10-9-14-19-20-17(22(14)13-6-4-3-5-12(10)13)25-11(2)15(23)21-8-7-18-16(21)24/h3-6,9,11H,7-8H2,1-2H3,(H,18,24)
InChIKeyRHYFBIFKHOFXHD-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.22
Rot. Bonds3

About 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one

1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 18091330) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one
PubChem CID18091330
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one
SMILESCc1cc2nnc(SC(C)C(=O)N3CCNC3=O)n2c2ccccc12
InChIInChI=1S/C17H17N5O2S/c1-10-9-14-19-20-17(22(14)13-6-4-3-5-12(10)13)25-11(2)15(23)21-8-7-18-16(21)24/h3-6,9,11H,7-8H2,1-2H3,(H,18,24)
InChIKeyRHYFBIFKHOFXHD-UHFFFAOYSA-N
XLogP2.22
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one (CID 18091330) is 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one is Cc1cc2nnc(SC(C)C(=O)N3CCNC3=O)n2c2ccccc12.
What is the InChIKey of 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one?
The InChIKey is RHYFBIFKHOFXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10-9-14-19-20-17(22(14)13-6-4-3-5-12(10)13)25-11(2)15(23)21-8-7-18-16(21)24/h3-6,9,11H,7-8H2,1-2H3,(H,18,24).
What are the key properties of 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one?
1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 355.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 18091330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).