N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide

C16H23N3O5S — CID 59164451

IUPACN-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide
SMILESCCCOC(CC)c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C
InChIInChI=1S/C16H23N3O5S/c1-5-7-24-14(6-2)11-9-12-13(8-10(11)3)17-16(21)19(15(12)20)18-25(4,22)23/h8-9,14,18H,5-7H2,1-4H3,(H,17,21)
InChIKeyZATDQJKIXBPNRF-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.38
Rot. Bonds7

About N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide

N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide (PubChem CID 59164451) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide
PubChem CID59164451
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide
SMILESCCCOC(CC)c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C
InChIInChI=1S/C16H23N3O5S/c1-5-7-24-14(6-2)11-9-12-13(8-10(11)3)17-16(21)19(15(12)20)18-25(4,22)23/h8-9,14,18H,5-7H2,1-4H3,(H,17,21)
InChIKeyZATDQJKIXBPNRF-UHFFFAOYSA-N
XLogP1.38
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide?
The IUPAC name of N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide (CID 59164451) is N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide?
The canonical SMILES for N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide is CCCOC(CC)c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide?
The InChIKey is ZATDQJKIXBPNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-5-7-24-14(6-2)11-9-12-13(8-10(11)3)17-16(21)19(15(12)20)18-25(4,22)23/h8-9,14,18H,5-7H2,1-4H3,(H,17,21).
What are the key properties of N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide?
N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide has a molecular weight of 369.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-2,4-dioxo-6-(1-propoxypropyl)-1H-quinazolin-3-yl]methanesulfonamide is sourced from PubChem (CID 59164451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).