(4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate

C20H19ClN4O5S — CID 55454232

IUPAC(4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESNc1nc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nc2ccccc12
InChIInChI=1S/C20H19ClN4O5S/c21-16-6-5-13(31(27,28)25-7-9-29-10-8-25)11-15(16)20(26)30-12-18-23-17-4-2-1-3-14(17)19(22)24-18/h1-6,11H,7-10,12H2,(H2,22,23,24)
InChIKeyMGLNZJASMJDZRR-UHFFFAOYSA-N
MW462.92 g/mol
LogP2.24
Rot. Bonds5

About (4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate

(4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 55454232) has the molecular formula C20H19ClN4O5S and a molecular weight of 462.92 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID55454232
Molecular FormulaC20H19ClN4O5S
Molecular Weight462.92 g/mol
Exact Mass462.08
IUPAC Name(4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESNc1nc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nc2ccccc12
InChIInChI=1S/C20H19ClN4O5S/c21-16-6-5-13(31(27,28)25-7-9-29-10-8-25)11-15(16)20(26)30-12-18-23-17-4-2-1-3-14(17)19(22)24-18/h1-6,11H,7-10,12H2,(H2,22,23,24)
InChIKeyMGLNZJASMJDZRR-UHFFFAOYSA-N
XLogP2.24
TPSA124.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 55453452
(4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 55453230
(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 55453944
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914
(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16578079
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 55536448
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 4012581
[3-(trifluoromethyl)phenyl]methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 3649598
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2546782
(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2367280
(2-bromophenyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1127061

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate (CID 55454232) is (4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate is Nc1nc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nc2ccccc12.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is MGLNZJASMJDZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O5S/c21-16-6-5-13(31(27,28)25-7-9-29-10-8-25)11-15(16)20(26)30-12-18-23-17-4-2-1-3-14(17)19(22)24-18/h1-6,11H,7-10,12H2,(H2,22,23,24).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
(4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 462.92 g/mol, XLogP of 2.24, 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 2-chloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 55454232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).