2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one

C19H21N3O2S — CID 135415483

IUPAC2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one
SMILESCc1cc(C(=O)CSC(C)c2nc3ccccc3c(=O)[nH]2)c(C)n1C
InChIInChI=1S/C19H21N3O2S/c1-11-9-15(12(2)22(11)4)17(23)10-25-13(3)18-20-16-8-6-5-7-14(16)19(24)21-18/h5-9,13H,10H2,1-4H3,(H,20,21,24)
InChIKeyHSNCLRVYRRDORE-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.56
Rot. Bonds5

About 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one

2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one (PubChem CID 135415483) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one
PubChem CID135415483
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one
SMILESCc1cc(C(=O)CSC(C)c2nc3ccccc3c(=O)[nH]2)c(C)n1C
InChIInChI=1S/C19H21N3O2S/c1-11-9-15(12(2)22(11)4)17(23)10-25-13(3)18-20-16-8-6-5-7-14(16)19(24)21-18/h5-9,13H,10H2,1-4H3,(H,20,21,24)
InChIKeyHSNCLRVYRRDORE-UHFFFAOYSA-N
XLogP3.56
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-(1-methoxypropan-2-yl)quinazolin-4-one
CID 4363933
3-(2-Methoxyethyl)-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylquinazolin-4-one
CID 2081424
N-[4-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 2086773
N-[4-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 2423353
3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(tert-butyl)propanamide
CID 3665396
3-(1-Methoxypropan-2-yl)-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylquinazolin-4-one
CID 3919206
N-[2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide
CID 4555418
2,5-dimethyl-N-(2-phenylsulfanylethyl)-1-propan-2-ylpyrrole-3-carboxamide
CID 17483813
4-amino-2-[2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135401246
2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1H-quinazolin-4-one
CID 135414709
2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3H-quinazolin-4-one
CID 135415390
2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-1H-quinazolin-4-one
CID 135415456

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one (CID 135415483) is 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one is Cc1cc(C(=O)CSC(C)c2nc3ccccc3c(=O)[nH]2)c(C)n1C.
What is the InChIKey of 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one?
The InChIKey is HSNCLRVYRRDORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-9-15(12(2)22(11)4)17(23)10-25-13(3)18-20-16-8-6-5-7-14(16)19(24)21-18/h5-9,13H,10H2,1-4H3,(H,20,21,24).
What are the key properties of 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one?
2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one has a molecular weight of 355.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135415483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).