4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide

C19H17N3O4S — CID 11269083

IUPAC4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc4c3CCO4)c2c1
InChIInChI=1S/C19H17N3O4S/c1-27(24,25)11-5-6-15-13(9-11)18(14(10-21-15)19(20)23)22-16-3-2-4-17-12(16)7-8-26-17/h2-6,9-10H,7-8H2,1H3,(H2,20,23)(H,21,22)
InChIKeyPAHFUSOOJGKHIO-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.42
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide

4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11269083) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11269083
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc4c3CCO4)c2c1
InChIInChI=1S/C19H17N3O4S/c1-27(24,25)11-5-6-15-13(9-11)18(14(10-21-15)19(20)23)22-16-3-2-4-17-12(16)7-8-26-17/h2-6,9-10H,7-8H2,1H3,(H2,20,23)(H,21,22)
InChIKeyPAHFUSOOJGKHIO-UHFFFAOYSA-N
XLogP2.42
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide 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-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide (CID 11269083) is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide is CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc4c3CCO4)c2c1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is PAHFUSOOJGKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-27(24,25)11-5-6-15-13(9-11)18(14(10-21-15)19(20)23)22-16-3-2-4-17-12(16)7-8-26-17/h2-6,9-10H,7-8H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide?
4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11269083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).