7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one

C24H22N2OS — CID 20994803

IUPAC7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
SMILESCc1ccc2c(=O)n(-c3ccccc3C)c(SCc3ccccc3C)nc2c1
InChIInChI=1S/C24H22N2OS/c1-16-12-13-20-21(14-16)25-24(28-15-19-10-6-4-8-17(19)2)26(23(20)27)22-11-7-5-9-18(22)3/h4-14H,15H2,1-3H3
InChIKeyLXRRNXPJWRWHFI-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.60
Rot. Bonds4

About 7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one

7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 20994803) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is 7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
PubChem CID20994803
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
SMILESCc1ccc2c(=O)n(-c3ccccc3C)c(SCc3ccccc3C)nc2c1
InChIInChI=1S/C24H22N2OS/c1-16-12-13-20-21(14-16)25-24(28-15-19-10-6-4-8-17(19)2)26(23(20)27)22-11-7-5-9-18(22)3/h4-14H,15H2,1-3H3
InChIKeyLXRRNXPJWRWHFI-UHFFFAOYSA-N
XLogP5.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one
CID 3917388
3-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one
CID 43811736
2-[(4-bromophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 4657483
2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3492101
3-(2,5-dimethylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 7896163
3-(2,5-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365481
3-(2-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 8873721
3-(2,4-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 18085424
4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27356270
3-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 2392049
2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one
CID 175667679
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 5028946

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one (CID 20994803) is 7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one is Cc1ccc2c(=O)n(-c3ccccc3C)c(SCc3ccccc3C)nc2c1.
What is the InChIKey of 7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is LXRRNXPJWRWHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-16-12-13-20-21(14-16)25-24(28-15-19-10-6-4-8-17(19)2)26(23(20)27)22-11-7-5-9-18(22)3/h4-14H,15H2,1-3H3.
What are the key properties of 7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one?
7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 386.52 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 20994803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).