1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide

C19H18N4O5S — CID 166210001

IUPAC1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCn1c(=O)[nH]c(=O)c3ccccc31)CC2
InChIInChI=1S/C19H18N4O5S/c20-29(27,28)13-6-5-12-7-9-22(16(12)11-13)17(24)8-10-23-15-4-2-1-3-14(15)18(25)21-19(23)26/h1-6,11H,7-10H2,(H2,20,27,28)(H,21,25,26)
InChIKeyXUXFVMILLUBDFN-UHFFFAOYSA-N
MW414.44 g/mol
LogP0.32
Rot. Bonds4

About 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide

1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 166210001) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID166210001
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCn1c(=O)[nH]c(=O)c3ccccc31)CC2
InChIInChI=1S/C19H18N4O5S/c20-29(27,28)13-6-5-12-7-9-22(16(12)11-13)17(24)8-10-23-15-4-2-1-3-14(15)18(25)21-19(23)26/h1-6,11H,7-10H2,(H2,20,27,28)(H,21,25,26)
InChIKeyXUXFVMILLUBDFN-UHFFFAOYSA-N
XLogP0.32
TPSA135.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide 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 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide (CID 166210001) is 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)CCn1c(=O)[nH]c(=O)c3ccccc31)CC2.
What is the InChIKey of 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is XUXFVMILLUBDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c20-29(27,28)13-6-5-12-7-9-22(16(12)11-13)17(24)8-10-23-15-4-2-1-3-14(15)18(25)21-19(23)26/h1-6,11H,7-10H2,(H2,20,27,28)(H,21,25,26).
What are the key properties of 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide?
1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 414.44 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 166210001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).