N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide

C21H23N3O2S — CID 42955964

IUPACN-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCSc1ccc(CN(C)C(=O)C(C)n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H23N3O2S/c1-14(20(25)23(3)13-16-9-11-17(27-4)12-10-16)24-15(2)22-19-8-6-5-7-18(19)21(24)26/h5-12,14H,13H2,1-4H3
InChIKeyWZURKRURZOXZAK-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.65
Rot. Bonds5

About N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide

N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide (PubChem CID 42955964) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide
PubChem CID42955964
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCSc1ccc(CN(C)C(=O)C(C)n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H23N3O2S/c1-14(20(25)23(3)13-16-9-11-17(27-4)12-10-16)24-15(2)22-19-8-6-5-7-18(19)21(24)26/h5-12,14H,13H2,1-4H3
InChIKeyWZURKRURZOXZAK-UHFFFAOYSA-N
XLogP3.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 43072701
2-bromo-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 43346484
2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 110879948
(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 61163105
N-benzyl-N-methyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 42001777
N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42981563
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 43022874
N-benzyl-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2521772
2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid
CID 21004528
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809774
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 30317011
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 8521264

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The IUPAC name of N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide (CID 42955964) is N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide.
What is the SMILES notation for N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The canonical SMILES for N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide is CSc1ccc(CN(C)C(=O)C(C)n2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The InChIKey is WZURKRURZOXZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(20(25)23(3)13-16-9-11-17(27-4)12-10-16)24-15(2)22-19-8-6-5-7-18(19)21(24)26/h5-12,14H,13H2,1-4H3.
What are the key properties of N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide?
N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide has a molecular weight of 381.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide is sourced from PubChem (CID 42955964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).