N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

C16H17N5O4S — CID 71926432

IUPACN-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCc1cn2c(n1)CCC(NS(=O)(=O)c1ccc3[nH]c(=O)[nH]c(=O)c3c1)C2
InChIInChI=1S/C16H17N5O4S/c1-9-7-21-8-10(2-5-14(21)17-9)20-26(24,25)11-3-4-13-12(6-11)15(22)19-16(23)18-13/h3-4,6-7,10,20H,2,5,8H2,1H3,(H2,18,19,22,23)
InChIKeyPOMFSXWIDFPDEB-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.01
Rot. Bonds3

About N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 71926432) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID71926432
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC NameN-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCc1cn2c(n1)CCC(NS(=O)(=O)c1ccc3[nH]c(=O)[nH]c(=O)c3c1)C2
InChIInChI=1S/C16H17N5O4S/c1-9-7-21-8-10(2-5-14(21)17-9)20-26(24,25)11-3-4-13-12(6-11)15(22)19-16(23)18-13/h3-4,6-7,10,20H,2,5,8H2,1H3,(H2,18,19,22,23)
InChIKeyPOMFSXWIDFPDEB-UHFFFAOYSA-N
XLogP0.01
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 71926432) is N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is Cc1cn2c(n1)CCC(NS(=O)(=O)c1ccc3[nH]c(=O)[nH]c(=O)c3c1)C2.
What is the InChIKey of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is POMFSXWIDFPDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-9-7-21-8-10(2-5-14(21)17-9)20-26(24,25)11-3-4-13-12(6-11)15(22)19-16(23)18-13/h3-4,6-7,10,20H,2,5,8H2,1H3,(H2,18,19,22,23).
What are the key properties of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 375.41 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 71926432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).