N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide

C18H20N4O4S — CID 60609383

IUPACN-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide
SMILESCN(C)CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C18H20N4O4S/c1-21(2)10-11-22(13-6-4-3-5-7-13)27(25,26)14-8-9-16-15(12-14)17(23)20-18(24)19-16/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23,24)
InChIKeyPXWQJQWMOIKGHV-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.97
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide

N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide (PubChem CID 60609383) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide
PubChem CID60609383
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide
SMILESCN(C)CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C18H20N4O4S/c1-21(2)10-11-22(13-6-4-3-5-7-13)27(25,26)14-8-9-16-15(12-14)17(23)20-18(24)19-16/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23,24)
InChIKeyPXWQJQWMOIKGHV-UHFFFAOYSA-N
XLogP0.97
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide (CID 60609383) is N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide is CN(C)CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide?
The InChIKey is PXWQJQWMOIKGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-21(2)10-11-22(13-6-4-3-5-7-13)27(25,26)14-8-9-16-15(12-14)17(23)20-18(24)19-16/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide?
N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 60609383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).