2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide

C23H28N4O2S — CID 7582860

IUPAC2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN(C)C)c1
InChIInChI=1S/C23H28N4O2S/c1-16-12-17(2)14-18(13-16)24-21(28)15-30-23-25-20-9-6-5-8-19(20)22(29)27(23)11-7-10-26(3)4/h5-6,8-9,12-14H,7,10-11,15H2,1-4H3,(H,24,28)
InChIKeyBHLQEAGYJPYDMP-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.70
Rot. Bonds8

About 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide

2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide (PubChem CID 7582860) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
PubChem CID7582860
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN(C)C)c1
InChIInChI=1S/C23H28N4O2S/c1-16-12-17(2)14-18(13-16)24-21(28)15-30-23-25-20-9-6-5-8-19(20)22(29)27(23)11-7-10-26(3)4/h5-6,8-9,12-14H,7,10-11,15H2,1-4H3,(H,24,28)
InChIKeyBHLQEAGYJPYDMP-UHFFFAOYSA-N
XLogP3.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide 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-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 7582889
2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 7582874
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 7855403
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 7454990
dimethyl-[3-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium
CID 7582822
3-[3-(dimethylamino)propyl]-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2113560
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 3900360
N-(3-bromophenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3494579
N-(3,5-dimethylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 4020756
N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515487
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 4793899
N-(2-chloro-4-methylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7954412

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide (CID 7582860) is 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN(C)C)c1.
What is the InChIKey of 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is BHLQEAGYJPYDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-16-12-17(2)14-18(13-16)24-21(28)15-30-23-25-20-9-6-5-8-19(20)22(29)27(23)11-7-10-26(3)4/h5-6,8-9,12-14H,7,10-11,15H2,1-4H3,(H,24,28).
What are the key properties of 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide?
2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 424.57 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 7582860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).