6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one

C22H22BrN3O3S — CID 43031860

IUPAC6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
SMILESCCn1c(SC(C(=O)N2CCOCC2)c2ccccc2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C22H22BrN3O3S/c1-2-26-20(27)17-14-16(23)8-9-18(17)24-22(26)30-19(15-6-4-3-5-7-15)21(28)25-10-12-29-13-11-25/h3-9,14,19H,2,10-13H2,1H3
InChIKeyAQZITXMEVXVXIX-UHFFFAOYSA-N
MW488.41 g/mol
LogP3.87
Rot. Bonds5

About 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one

6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one (PubChem CID 43031860) has the molecular formula C22H22BrN3O3S and a molecular weight of 488.41 g/mol. Its IUPAC name is 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
PubChem CID43031860
Molecular FormulaC22H22BrN3O3S
Molecular Weight488.41 g/mol
Exact Mass487.06
IUPAC Name6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
SMILESCCn1c(SC(C(=O)N2CCOCC2)c2ccccc2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C22H22BrN3O3S/c1-2-26-20(27)17-14-16(23)8-9-18(17)24-22(26)30-19(15-6-4-3-5-7-15)21(28)25-10-12-29-13-11-25/h3-9,14,19H,2,10-13H2,1H3
InChIKeyAQZITXMEVXVXIX-UHFFFAOYSA-N
XLogP3.87
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 7702486
6-chloro-3-ethyl-2-[(1S)-2-oxo-1-phenyl-2-piperazin-1-ylethyl]sulfanylquinazolin-4-one
CID 177055989
7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
CID 40811720
3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 18199015
2-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 27716286
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 46825133
3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one
CID 8674821
2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide
CID 177055973
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 55468566
6,7-dichloro-3-ethyl-2-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-phenylethyl]sulfanylquinazolin-4-one
CID 177054414
2-(3-amino-6-bromo-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetic acid
CID 44590762
3-ethyl-2-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]sulfanylbenzo[g]quinazolin-4-one
CID 177056343

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one?
The IUPAC name of 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one (CID 43031860) is 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one is CCn1c(SC(C(=O)N2CCOCC2)c2ccccc2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one?
The InChIKey is AQZITXMEVXVXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O3S/c1-2-26-20(27)17-14-16(23)8-9-18(17)24-22(26)30-19(15-6-4-3-5-7-15)21(28)25-10-12-29-13-11-25/h3-9,14,19H,2,10-13H2,1H3.
What are the key properties of 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one?
6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one has a molecular weight of 488.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 43031860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).