N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide

C20H21N5O4S — CID 166007273

IUPACN-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCNc1cc2c(cc1S(=O)(=O)NCCc1cc3ccccc3[nH]1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C20H21N5O4S/c1-21-16-11-17-14(19(26)24-20(27)25(17)2)10-18(16)30(28,29)22-8-7-13-9-12-5-3-4-6-15(12)23-13/h3-6,9-11,21-23H,7-8H2,1-2H3,(H,24,26,27)
InChIKeyMAIIJFZVGIQHEZ-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.27
Rot. Bonds6

About N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide

N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 166007273) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID166007273
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCNc1cc2c(cc1S(=O)(=O)NCCc1cc3ccccc3[nH]1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C20H21N5O4S/c1-21-16-11-17-14(19(26)24-20(27)25(17)2)10-18(16)30(28,29)22-8-7-13-9-12-5-3-4-6-15(12)23-13/h3-6,9-11,21-23H,7-8H2,1-2H3,(H,24,26,27)
InChIKeyMAIIJFZVGIQHEZ-UHFFFAOYSA-N
XLogP1.27
TPSA128.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-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 N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide (CID 166007273) is N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide is CNc1cc2c(cc1S(=O)(=O)NCCc1cc3ccccc3[nH]1)c(=O)[nH]c(=O)n2C.
What is the InChIKey of N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is MAIIJFZVGIQHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-21-16-11-17-14(19(26)24-20(27)25(17)2)10-18(16)30(28,29)22-8-7-13-9-12-5-3-4-6-15(12)23-13/h3-6,9-11,21-23H,7-8H2,1-2H3,(H,24,26,27).
What are the key properties of N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide?
N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 427.49 g/mol, XLogP of 1.27, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)ethyl]-1-methyl-7-(methylamino)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 166007273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).