[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

C19H18ClN3O5S — CID 136755689

IUPAC[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESC[C@H](OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18ClN3O5S/c1-12(18-22-16-8-3-2-7-15(16)19(25)23-18)28-17(24)9-10-21-29(26,27)14-6-4-5-13(20)11-14/h2-8,11-12,21H,9-10H2,1H3,(H,22,23,25)/t12-/m0/s1
InChIKeyYVEFVFFQIDZSDK-LBPRGKRZSA-N
MW435.89 g/mol
LogP2.55
Rot. Bonds7

About [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate (PubChem CID 136755689) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
PubChem CID136755689
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESC[C@H](OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18ClN3O5S/c1-12(18-22-16-8-3-2-7-15(16)19(25)23-18)28-17(24)9-10-21-29(26,27)14-6-4-5-13(20)11-14/h2-8,11-12,21H,9-10H2,1H3,(H,22,23,25)/t12-/m0/s1
InChIKeyYVEFVFFQIDZSDK-LBPRGKRZSA-N
XLogP2.55
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-acetamidopropanoate
CID 135816941
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
CID 135784464
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate
CID 135959606
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 135784488
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate
CID 135819391
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 135582956
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (3S)-3-phenylbutanoate
CID 135831951
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-phenoxybutanoate
CID 135816774
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate
CID 135780436
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
CID 135582860
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate
CID 135991717

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate (CID 136755689) is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate is C[C@H](OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is YVEFVFFQIDZSDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c1-12(18-22-16-8-3-2-7-15(16)19(25)23-18)28-17(24)9-10-21-29(26,27)14-6-4-5-13(20)11-14/h2-8,11-12,21H,9-10H2,1H3,(H,22,23,25)/t12-/m0/s1.
What are the key properties of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 435.89 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 136755689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).