4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide

C23H28N4O5S — CID 177159845

IUPAC4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
SMILESCOC[C@H]1CN(c2ccc3c(=O)n(CCc4ccc(S(N)(=O)=O)cc4)c(C)nc3c2)CCO1
InChIInChI=1S/C23H28N4O5S/c1-16-25-22-13-18(26-11-12-32-19(14-26)15-31-2)5-8-21(22)23(28)27(16)10-9-17-3-6-20(7-4-17)33(24,29)30/h3-8,13,19H,9-12,14-15H2,1-2H3,(H2,24,29,30)/t19-/m1/s1
InChIKeySDAHIMHSPVUAMM-LJQANCHMSA-N
MW472.57 g/mol
LogP1.45
Rot. Bonds7

About 4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide

4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide (PubChem CID 177159845) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
PubChem CID177159845
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
SMILESCOC[C@H]1CN(c2ccc3c(=O)n(CCc4ccc(S(N)(=O)=O)cc4)c(C)nc3c2)CCO1
InChIInChI=1S/C23H28N4O5S/c1-16-25-22-13-18(26-11-12-32-19(14-26)15-31-2)5-8-21(22)23(28)27(16)10-9-17-3-6-20(7-4-17)33(24,29)30/h3-8,13,19H,9-12,14-15H2,1-2H3,(H2,24,29,30)/t19-/m1/s1
InChIKeySDAHIMHSPVUAMM-LJQANCHMSA-N
XLogP1.45
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one
CID 177159699
7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-[(2R)-oxetan-2-yl]quinazolin-4-one
CID 177159880
3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one
CID 177159681
2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one
CID 177159942
2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one
CID 177159927
4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219831
7-[(2R)-2-[(3-fluoroazetidin-1-yl)methyl]morpholin-4-yl]-3-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]quinazolin-4-one
CID 177158771
7-[(2R)-2-[(3-fluoroazetidin-1-yl)methyl]morpholin-4-yl]-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[2-(1,3,3-trimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl)ethyl]quinazolin-4-one
CID 177158895
methyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate
CID 4596003
methyl 2-[(2-methylphenyl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate
CID 3489132
2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 122156203
7-[4-(2-methoxypropyl)-3-oxopiperazin-1-yl]-2-methyl-3-[2-(1,3,3-trimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl)ethyl]quinazolin-4-one
CID 177159885

Frequently Asked Questions

What is the IUPAC name of 4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide (CID 177159845) is 4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide is COC[C@H]1CN(c2ccc3c(=O)n(CCc4ccc(S(N)(=O)=O)cc4)c(C)nc3c2)CCO1.
What is the InChIKey of 4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is SDAHIMHSPVUAMM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-16-25-22-13-18(26-11-12-32-19(14-26)15-31-2)5-8-21(22)23(28)27(16)10-9-17-3-6-20(7-4-17)33(24,29)30/h3-8,13,19H,9-12,14-15H2,1-2H3,(H2,24,29,30)/t19-/m1/s1.
What are the key properties of 4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide?
4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 472.57 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 177159845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).