(4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate

C20H20N4O5S — CID 55453230

IUPAC(4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
SMILESNc1nc(COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12
InChIInChI=1S/C20H20N4O5S/c21-19-16-6-1-2-7-17(16)22-18(23-19)13-29-20(25)14-4-3-5-15(12-14)30(26,27)24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H2,21,22,23)
InChIKeyXHHPLNYIQBGDSL-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.59
Rot. Bonds5

About (4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate

(4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 55453230) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
PubChem CID55453230
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name(4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
SMILESNc1nc(COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12
InChIInChI=1S/C20H20N4O5S/c21-19-16-6-1-2-7-17(16)22-18(23-19)13-29-20(25)14-4-3-5-15(12-14)30(26,27)24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H2,21,22,23)
InChIKeyXHHPLNYIQBGDSL-UHFFFAOYSA-N
XLogP1.59
TPSA124.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 55454232
(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 55453452
(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 55453944
(4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 27913355
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
(2,6-dichlorophenyl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 3881393
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
(3-oxobenzo[f]chromen-1-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 4008588
furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate
CID 1043465
1,3-benzoxazol-2-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 9398340
(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634080

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate (CID 55453230) is (4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate is Nc1nc(COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is XHHPLNYIQBGDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c21-19-16-6-1-2-7-17(16)22-18(23-19)13-29-20(25)14-4-3-5-15(12-14)30(26,27)24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H2,21,22,23).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate?
(4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 428.47 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 55453230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).