N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide

C23H20N4O2S — CID 5008348

IUPACN-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide
SMILESCN(C(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C23H20N4O2S/c1-26-13-12-24-23(26)22(29)18-14-20(25-19-11-7-6-10-17(18)19)30-15-21(28)27(2)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3
InChIKeyUVXRRTUPOSDVOC-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.95
Rot. Bonds6

About N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide

N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 5008348) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide
PubChem CID5008348
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide
SMILESCN(C(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C23H20N4O2S/c1-26-13-12-24-23(26)22(29)18-14-20(25-19-11-7-6-10-17(18)19)30-15-21(28)27(2)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3
InChIKeyUVXRRTUPOSDVOC-UHFFFAOYSA-N
XLogP3.95
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide 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 N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide (CID 5008348) is N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide is CN(C(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1)c1ccccc1.
What is the InChIKey of N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is UVXRRTUPOSDVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-26-13-12-24-23(26)22(29)18-14-20(25-19-11-7-6-10-17(18)19)30-15-21(28)27(2)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3.
What are the key properties of N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide?
N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 416.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 5008348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).