(3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate

C23H25N3O6S — CID 43015680

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCn1c(CCC(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc2c1=O
InChIInChI=1S/C23H25N3O6S/c1-25-21(24-20-8-3-2-7-19(20)23(25)28)9-10-22(27)32-16-17-5-4-6-18(15-17)33(29,30)26-11-13-31-14-12-26/h2-8,15H,9-14,16H2,1H3
InChIKeyJMAKFYHABJZPTH-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.63
Rot. Bonds7

About (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate

(3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate (PubChem CID 43015680) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
PubChem CID43015680
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCn1c(CCC(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc2c1=O
InChIInChI=1S/C23H25N3O6S/c1-25-21(24-20-8-3-2-7-19(20)23(25)28)9-10-22(27)32-16-17-5-4-6-18(15-17)33(29,30)26-11-13-31-14-12-26/h2-8,15H,9-14,16H2,1H3
InChIKeyJMAKFYHABJZPTH-UHFFFAOYSA-N
XLogP1.63
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
CID 31647896
(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate
CID 8533259
(3-morpholin-4-ylsulfonylphenyl)methyl 3-phenylsulfanylpropanoate
CID 8853648
(3-morpholin-4-ylsulfonylphenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 42982189
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 42988498
(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 47012023
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885940
pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 43021661
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933838
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
CID 7750422
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate (CID 43015680) is (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate is Cn1c(CCC(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc2c1=O.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The InChIKey is JMAKFYHABJZPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-25-21(24-20-8-3-2-7-19(20)23(25)28)9-10-22(27)32-16-17-5-4-6-18(15-17)33(29,30)26-11-13-31-14-12-26/h2-8,15H,9-14,16H2,1H3.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
(3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate has a molecular weight of 471.54 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate is sourced from PubChem (CID 43015680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).