N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide

C22H22N4O5S — CID 167743303

IUPACN-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2cc(NS(=O)(=O)C3CC3)ccc21
InChIInChI=1S/C22H22N4O5S/c27-20(10-12-26-19-4-2-1-3-17(19)21(28)23-22(26)29)25-11-9-14-13-15(5-8-18(14)25)24-32(30,31)16-6-7-16/h1-5,8,13,16,24H,6-7,9-12H2,(H,23,28,29)
InChIKeyZALKSEVJQIAIBJ-UHFFFAOYSA-N
MW454.51 g/mol
LogP1.57
Rot. Bonds6

About N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide

N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide (PubChem CID 167743303) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide
PubChem CID167743303
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC NameN-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2cc(NS(=O)(=O)C3CC3)ccc21
InChIInChI=1S/C22H22N4O5S/c27-20(10-12-26-19-4-2-1-3-17(19)21(28)23-22(26)29)25-11-9-14-13-15(5-8-18(14)25)24-32(30,31)16-6-7-16/h1-5,8,13,16,24H,6-7,9-12H2,(H,23,28,29)
InChIKeyZALKSEVJQIAIBJ-UHFFFAOYSA-N
XLogP1.57
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide (CID 167743303) is N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2cc(NS(=O)(=O)C3CC3)ccc21.
What is the InChIKey of N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide?
The InChIKey is ZALKSEVJQIAIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c27-20(10-12-26-19-4-2-1-3-17(19)21(28)23-22(26)29)25-11-9-14-13-15(5-8-18(14)25)24-32(30,31)16-6-7-16/h1-5,8,13,16,24H,6-7,9-12H2,(H,23,28,29).
What are the key properties of N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide?
N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide has a molecular weight of 454.51 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide is sourced from PubChem (CID 167743303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).