(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate

C24H20ClN3O4S — CID 135738051

IUPAC(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
SMILESO=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H20ClN3O4S/c25-16-6-7-17-19(12-16)26-21(27-22(17)29)14-32-24(30)20-13-18(15-4-2-1-3-5-15)23(33-20)28-8-10-31-11-9-28/h1-7,12-13H,8-11,14H2,(H,26,27,29)
InChIKeyZTNUGKLPYLWZAH-UHFFFAOYSA-N
MW481.96 g/mol
LogP4.50
Rot. Bonds5

About (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate

(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate (PubChem CID 135738051) has the molecular formula C24H20ClN3O4S and a molecular weight of 481.96 g/mol. Its IUPAC name is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
PubChem CID135738051
Molecular FormulaC24H20ClN3O4S
Molecular Weight481.96 g/mol
Exact Mass481.09
IUPAC Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
SMILESO=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H20ClN3O4S/c25-16-6-7-17-19(12-16)26-21(27-22(17)29)14-32-24(30)20-13-18(15-4-2-1-3-5-15)23(33-20)28-8-10-31-11-9-28/h1-7,12-13H,8-11,14H2,(H,26,27,29)
InChIKeyZTNUGKLPYLWZAH-UHFFFAOYSA-N
XLogP4.50
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4,5-dibromothiophene-2-carboxylate
CID 135738012
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 18133713
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 55522936
[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 31532211
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 135850152
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 135737744
[2-oxo-2-(pentylamino)ethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 9126737
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 135729992
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-2-nitrobenzoate
CID 135723582
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 135729921
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate
CID 135729865

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate (CID 135738051) is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate.
What is the SMILES notation for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The canonical SMILES for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate is O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The InChIKey is ZTNUGKLPYLWZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4S/c25-16-6-7-17-19(12-16)26-21(27-22(17)29)14-32-24(30)20-13-18(15-4-2-1-3-5-15)23(33-20)28-8-10-31-11-9-28/h1-7,12-13H,8-11,14H2,(H,26,27,29).
What are the key properties of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate has a molecular weight of 481.96 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate is sourced from PubChem (CID 135738051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).