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

C19H20N4O5S — CID 91819596

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(CN4CCOCC4)cc3)ccc2[nH]1
InChIInChI=1S/C19H20N4O5S/c24-18-16-11-15(5-6-17(16)20-19(25)21-18)29(26,27)22-14-3-1-13(2-4-14)12-23-7-9-28-10-8-23/h1-6,11,22H,7-10,12H2,(H2,20,21,24,25)
InChIKeyXXBPBRAXPRQSTE-UHFFFAOYSA-N
MW416.46 g/mol
LogP0.85
Rot. Bonds5

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

N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 91819596) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID91819596
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(CN4CCOCC4)cc3)ccc2[nH]1
InChIInChI=1S/C19H20N4O5S/c24-18-16-11-15(5-6-17(16)20-19(25)21-18)29(26,27)22-14-3-1-13(2-4-14)12-23-7-9-28-10-8-23/h1-6,11,22H,7-10,12H2,(H2,20,21,24,25)
InChIKeyXXBPBRAXPRQSTE-UHFFFAOYSA-N
XLogP0.85
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide with MolForge

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Related Compounds

N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 46966768
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 108781141
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55558713
N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 166302689
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55598485
4-butan-2-yl-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 112773326
2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110420138
6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55559177
6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55559273
1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
CID 83085852
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 78858136

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 91819596) is N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(CN4CCOCC4)cc3)ccc2[nH]1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is XXBPBRAXPRQSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c24-18-16-11-15(5-6-17(16)20-19(25)21-18)29(26,27)22-14-3-1-13(2-4-14)12-23-7-9-28-10-8-23/h1-6,11,22H,7-10,12H2,(H2,20,21,24,25).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 416.46 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 91819596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).