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

C20H19FN4O5S — CID 55453452

IUPAC(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESNc1nc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)nc2ccccc12
InChIInChI=1S/C20H19FN4O5S/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)
InChIKeyQCASQCVEPKOXSZ-UHFFFAOYSA-N
MW446.46 g/mol
LogP1.73
Rot. Bonds5

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

(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 55453452) has the molecular formula C20H19FN4O5S and a molecular weight of 446.46 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID55453452
Molecular FormulaC20H19FN4O5S
Molecular Weight446.46 g/mol
Exact Mass446.11
IUPAC Name(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESNc1nc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)nc2ccccc12
InChIInChI=1S/C20H19FN4O5S/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)
InChIKeyQCASQCVEPKOXSZ-UHFFFAOYSA-N
XLogP1.73
TPSA124.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 51.73
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 3-morpholin-4-ylsulfonylbenzoate
CID 55453230
(2-phenyl-1,3-thiazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530468
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722
(2-cyanophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2652352
(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 55453944
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530508
(4-methoxycarbonylphenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4263507
(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2568864
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
[2-(carbamoylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4218282
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530525

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 55453452) is (4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is Nc1nc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)nc2ccccc12.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is QCASQCVEPKOXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O5S/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-fluoro-5-morpholin-4-ylsulfonylbenzoate?
(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 446.46 g/mol, XLogP of 1.73, 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-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 55453452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).