4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline

C13H16N2O2S — CID 4905919

IUPAC4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline
SMILESCc1nc(S(C)(=O)=O)nc2ccc(C(C)C)cc12
InChIInChI=1S/C13H16N2O2S/c1-8(2)10-5-6-12-11(7-10)9(3)14-13(15-12)18(4,16)17/h5-8H,1-4H3
InChIKeyRCKOSKULQBACJE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.47
Rot. Bonds2

About 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline

4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline (PubChem CID 4905919) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline.

Molecular Properties

Compound Name4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline
PubChem CID4905919
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline
SMILESCc1nc(S(C)(=O)=O)nc2ccc(C(C)C)cc12
InChIInChI=1S/C13H16N2O2S/c1-8(2)10-5-6-12-11(7-10)9(3)14-13(15-12)18(4,16)17/h5-8H,1-4H3
InChIKeyRCKOSKULQBACJE-UHFFFAOYSA-N
XLogP2.47
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline?
The IUPAC name of 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline (CID 4905919) is 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline.
What is the SMILES notation for 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline?
The canonical SMILES for 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline is Cc1nc(S(C)(=O)=O)nc2ccc(C(C)C)cc12.
What is the InChIKey of 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline?
The InChIKey is RCKOSKULQBACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8(2)10-5-6-12-11(7-10)9(3)14-13(15-12)18(4,16)17/h5-8H,1-4H3.
What are the key properties of 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline?
4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline has a molecular weight of 264.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonyl-6-propan-2-ylquinazoline is sourced from PubChem (CID 4905919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).