1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide

C19H20N4O4S — CID 121398451

IUPAC1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide
SMILESCn1c(=O)n(Cc2cccnc2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C19H20N4O4S/c1-19(7-8-19)21-28(26,27)14-5-6-16-15(10-14)17(24)23(18(25)22(16)2)12-13-4-3-9-20-11-13/h3-6,9-11,21H,7-8,12H2,1-2H3
InChIKeyKGZBGKGINUVPDU-UHFFFAOYSA-N
MW400.46 g/mol
LogP0.97
Rot. Bonds5

About 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide

1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide (PubChem CID 121398451) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide
PubChem CID121398451
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide
SMILESCn1c(=O)n(Cc2cccnc2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C19H20N4O4S/c1-19(7-8-19)21-28(26,27)14-5-6-16-15(10-14)17(24)23(18(25)22(16)2)12-13-4-3-9-20-11-13/h3-6,9-11,21H,7-8,12H2,1-2H3
InChIKeyKGZBGKGINUVPDU-UHFFFAOYSA-N
XLogP0.97
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide (CID 121398451) is 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide is Cn1c(=O)n(Cc2cccnc2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21.
What is the InChIKey of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide?
The InChIKey is KGZBGKGINUVPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-19(7-8-19)21-28(26,27)14-5-6-16-15(10-14)17(24)23(18(25)22(16)2)12-13-4-3-9-20-11-13/h3-6,9-11,21H,7-8,12H2,1-2H3.
What are the key properties of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide?
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide has a molecular weight of 400.46 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide is sourced from PubChem (CID 121398451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).