2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C17H17BrN4O4S — CID 42323509

IUPAC2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCOCCn1c(SCC(=O)Nc2cc(C)no2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C17H17BrN4O4S/c1-10-7-15(26-21-10)20-14(23)9-27-17-19-13-4-3-11(18)8-12(13)16(24)22(17)5-6-25-2/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,23)
InChIKeyPZMQKWWGKHFSHX-UHFFFAOYSA-N
MW453.32 g/mol
LogP2.83
Rot. Bonds7

About 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 42323509) has the molecular formula C17H17BrN4O4S and a molecular weight of 453.32 g/mol. Its IUPAC name is 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID42323509
Molecular FormulaC17H17BrN4O4S
Molecular Weight453.32 g/mol
Exact Mass452.02
IUPAC Name2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCOCCn1c(SCC(=O)Nc2cc(C)no2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C17H17BrN4O4S/c1-10-7-15(26-21-10)20-14(23)9-27-17-19-13-4-3-11(18)8-12(13)16(24)22(17)5-6-25-2/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,23)
InChIKeyPZMQKWWGKHFSHX-UHFFFAOYSA-N
XLogP2.83
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

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Related Compounds

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2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 2610667
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CID 2610690
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butan-2-ylacetamide
CID 18078897
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 42323509) is 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide is COCCn1c(SCC(=O)Nc2cc(C)no2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is PZMQKWWGKHFSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O4S/c1-10-7-15(26-21-10)20-14(23)9-27-17-19-13-4-3-11(18)8-12(13)16(24)22(17)5-6-25-2/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,23).
What are the key properties of 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 453.32 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 42323509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).