4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide

C24H21N3O2S — CID 27356270

IUPAC4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
SMILESCc1ccc(C)c(-n2c(SCc3ccc(C(N)=O)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H21N3O2S/c1-15-7-8-16(2)21(13-15)27-23(29)19-5-3-4-6-20(19)26-24(27)30-14-17-9-11-18(12-10-17)22(25)28/h3-13H,14H2,1-2H3,(H2,25,28)
InChIKeyNWVOZDDUMFRMAC-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.39
Rot. Bonds5

About 4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide

4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide (PubChem CID 27356270) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
PubChem CID27356270
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
SMILESCc1ccc(C)c(-n2c(SCc3ccc(C(N)=O)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H21N3O2S/c1-15-7-8-16(2)21(13-15)27-23(29)19-5-3-4-6-20(19)26-24(27)30-14-17-9-11-18(12-10-17)22(25)28/h3-13H,14H2,1-2H3,(H2,25,28)
InChIKeyNWVOZDDUMFRMAC-UHFFFAOYSA-N
XLogP4.39
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27592797
N-carbamoyl-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7896152
4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26970971
2-[(4-bromophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 4657483
3-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one
CID 43811736
3-(2,5-dimethylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 7896163
methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate
CID 31582558
4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
CID 27350175
2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 31673280
N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1432211
2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2609797
4-[[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 5138655

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The IUPAC name of 4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide (CID 27356270) is 4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The canonical SMILES for 4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide is Cc1ccc(C)c(-n2c(SCc3ccc(C(N)=O)cc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The InChIKey is NWVOZDDUMFRMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-15-7-8-16(2)21(13-15)27-23(29)19-5-3-4-6-20(19)26-24(27)30-14-17-9-11-18(12-10-17)22(25)28/h3-13H,14H2,1-2H3,(H2,25,28).
What are the key properties of 4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide has a molecular weight of 415.52 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 27356270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).