[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate

C22H17N3O5 — CID 135671547

IUPAC[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H17N3O5/c1-13(19-24-17-6-3-2-5-16(17)20(26)25-19)30-22(28)14-8-10-15(11-9-14)23-21(27)18-7-4-12-29-18/h2-13H,1H3,(H,23,27)(H,24,25,26)/t13-/m1/s1
InChIKeyRITDLYSIRXXNRJ-CYBMUJFWSA-N
MW403.39 g/mol
LogP3.69
Rot. Bonds5

About [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 135671547) has the molecular formula C22H17N3O5 and a molecular weight of 403.39 g/mol. Its IUPAC name is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate
PubChem CID135671547
Molecular FormulaC22H17N3O5
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H17N3O5/c1-13(19-24-17-6-3-2-5-16(17)20(26)25-19)30-22(28)14-8-10-15(11-9-14)23-21(27)18-7-4-12-29-18/h2-13H,1H3,(H,23,27)(H,24,25,26)/t13-/m1/s1
InChIKeyRITDLYSIRXXNRJ-CYBMUJFWSA-N
XLogP3.69
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate with MolForge

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Related Compounds

[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-fluorobenzoate
CID 135583391
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(2-methylpropyl)benzoate
CID 135739614
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 135780900
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(dimethylamino)benzoate
CID 136833624
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 135720313
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 135582908
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 135745596
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 135930529
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
CID 135582870
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] pyridine-2-carboxylate
CID 135583374

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate (CID 135671547) is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate is C[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is RITDLYSIRXXNRJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H17N3O5/c1-13(19-24-17-6-3-2-5-16(17)20(26)25-19)30-22(28)14-8-10-15(11-9-14)23-21(27)18-7-4-12-29-18/h2-13H,1H3,(H,23,27)(H,24,25,26)/t13-/m1/s1.
What are the key properties of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate?
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 403.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 135671547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).