3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one

C18H14N4OS — CID 133427777

IUPAC3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one
SMILESCc1ccc2ncnc(Sc3nc4ccccc4c(=O)n3C)c2c1
InChIInChI=1S/C18H14N4OS/c1-11-7-8-14-13(9-11)16(20-10-19-14)24-18-21-15-6-4-3-5-12(15)17(23)22(18)2/h3-10H,1-2H3
InChIKeyJSJJCAROLASMFF-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.34
Rot. Bonds2

About 3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one

3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one (PubChem CID 133427777) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one
PubChem CID133427777
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one
SMILESCc1ccc2ncnc(Sc3nc4ccccc4c(=O)n3C)c2c1
InChIInChI=1S/C18H14N4OS/c1-11-7-8-14-13(9-11)16(20-10-19-14)24-18-21-15-6-4-3-5-12(15)17(23)22(18)2/h3-10H,1-2H3
InChIKeyJSJJCAROLASMFF-UHFFFAOYSA-N
XLogP3.34
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 133425474
4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133427019
6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426925
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylquinazoline
CID 133426978
6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426911
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 39417248
6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
CID 133426595
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one
CID 8000214
5-methyl-2-quinazolin-4-ylsulfanylaniline
CID 60894209
2-(3-hydroxypropylsulfanyl)-3,6-dimethylquinazolin-4-one
CID 111127184
2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 133434206
2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one
CID 37143292

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one?
The IUPAC name of 3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one (CID 133427777) is 3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one is Cc1ccc2ncnc(Sc3nc4ccccc4c(=O)n3C)c2c1.
What is the InChIKey of 3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one?
The InChIKey is JSJJCAROLASMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-11-7-8-14-13(9-11)16(20-10-19-14)24-18-21-15-6-4-3-5-12(15)17(23)22(18)2/h3-10H,1-2H3.
What are the key properties of 3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one?
3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one has a molecular weight of 334.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one is sourced from PubChem (CID 133427777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).