2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline

C24H22N2O4S — CID 102221967

IUPAC2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline
SMILESCOc1cc2c(cc1OC)-n1c(cc3ccccc31)N(S(=O)(=O)c1ccc(C)cc1)C2
InChIInChI=1S/C24H22N2O4S/c1-16-8-10-19(11-9-16)31(27,28)25-15-18-12-22(29-2)23(30-3)14-21(18)26-20-7-5-4-6-17(20)13-24(25)26/h4-14H,15H2,1-3H3
InChIKeyJBEULUKGRIRZKB-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.67
Rot. Bonds4

About 2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline

2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline (PubChem CID 102221967) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline.

Molecular Properties

Compound Name2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline
PubChem CID102221967
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline
SMILESCOc1cc2c(cc1OC)-n1c(cc3ccccc31)N(S(=O)(=O)c1ccc(C)cc1)C2
InChIInChI=1S/C24H22N2O4S/c1-16-8-10-19(11-9-16)31(27,28)25-15-18-12-22(29-2)23(30-3)14-21(18)26-20-7-5-4-6-17(20)13-24(25)26/h4-14H,15H2,1-3H3
InChIKeyJBEULUKGRIRZKB-UHFFFAOYSA-N
XLogP4.67
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline?
The IUPAC name of 2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline (CID 102221967) is 2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline.
What is the SMILES notation for 2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline?
The canonical SMILES for 2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline is COc1cc2c(cc1OC)-n1c(cc3ccccc31)N(S(=O)(=O)c1ccc(C)cc1)C2.
What is the InChIKey of 2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline?
The InChIKey is JBEULUKGRIRZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16-8-10-19(11-9-16)31(27,28)25-15-18-12-22(29-2)23(30-3)14-21(18)26-20-7-5-4-6-17(20)13-24(25)26/h4-14H,15H2,1-3H3.
What are the key properties of 2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline?
2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline has a molecular weight of 434.52 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-(4-methylphenyl)sulfonyl-5H-indolo[1,2-a]quinazoline is sourced from PubChem (CID 102221967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).