N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide

C22H17N3O4S — CID 86944114

IUPACN-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide
SMILESCc1nc2ccccc2c2c(NC(=O)c3ccc(S(C)(=O)=O)o3)c3ccccc3n12
InChIInChI=1S/C22H17N3O4S/c1-13-23-16-9-5-3-7-14(16)21-20(15-8-4-6-10-17(15)25(13)21)24-22(26)18-11-12-19(29-18)30(2,27)28/h3-12H,1-2H3,(H,24,26)
InChIKeyRBSXHFLWCZYUOX-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.20
Rot. Bonds3

About N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide

N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide (PubChem CID 86944114) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide
PubChem CID86944114
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide
SMILESCc1nc2ccccc2c2c(NC(=O)c3ccc(S(C)(=O)=O)o3)c3ccccc3n12
InChIInChI=1S/C22H17N3O4S/c1-13-23-16-9-5-3-7-14(16)21-20(15-8-4-6-10-17(15)25(13)21)24-22(26)18-11-12-19(29-18)30(2,27)28/h3-12H,1-2H3,(H,24,26)
InChIKeyRBSXHFLWCZYUOX-UHFFFAOYSA-N
XLogP4.20
TPSA93.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide (CID 86944114) is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide is Cc1nc2ccccc2c2c(NC(=O)c3ccc(S(C)(=O)=O)o3)c3ccccc3n12.
What is the InChIKey of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide?
The InChIKey is RBSXHFLWCZYUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c1-13-23-16-9-5-3-7-14(16)21-20(15-8-4-6-10-17(15)25(13)21)24-22(26)18-11-12-19(29-18)30(2,27)28/h3-12H,1-2H3,(H,24,26).
What are the key properties of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide?
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 86944114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).