6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

C23H26N6O2S — CID 649550

IUPAC6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)cc2c1
InChIInChI=1S/C23H26N6O2S/c1-16-6-7-21-17(10-16)11-18(23(30)24-21)12-28(14-20-5-3-9-32-20)15-22-25-26-27-29(22)13-19-4-2-8-31-19/h3,5-7,9-11,19H,2,4,8,12-15H2,1H3,(H,24,30)
InChIKeyMJPPSZWWJLXFOJ-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.27
Rot. Bonds8

About 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 649550) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID649550
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)cc2c1
InChIInChI=1S/C23H26N6O2S/c1-16-6-7-21-17(10-16)11-18(23(30)24-21)12-28(14-20-5-3-9-32-20)15-22-25-26-27-29(22)13-19-4-2-8-31-19/h3,5-7,9-11,19H,2,4,8,12-15H2,1H3,(H,24,30)
InChIKeyMJPPSZWWJLXFOJ-UHFFFAOYSA-N
XLogP3.27
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-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 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 649550) is 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)cc2c1.
What is the InChIKey of 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is MJPPSZWWJLXFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-16-6-7-21-17(10-16)11-18(23(30)24-21)12-28(14-20-5-3-9-32-20)15-22-25-26-27-29(22)13-19-4-2-8-31-19/h3,5-7,9-11,19H,2,4,8,12-15H2,1H3,(H,24,30).
What are the key properties of 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 450.57 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 649550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).