2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide

C18H22BrN3O3S — CID 55403246

IUPAC2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide
SMILESCOCCn1c(SCC(=O)NC(C)C2CC2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H22BrN3O3S/c1-11(12-3-4-12)20-16(23)10-26-18-21-15-6-5-13(19)9-14(15)17(24)22(18)7-8-25-2/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,20,23)
InChIKeyIKELDMWJKNWDBF-UHFFFAOYSA-N
MW440.36 g/mol
LogP2.81
Rot. Bonds8

About 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide

2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide (PubChem CID 55403246) has the molecular formula C18H22BrN3O3S and a molecular weight of 440.36 g/mol. Its IUPAC name is 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide
PubChem CID55403246
Molecular FormulaC18H22BrN3O3S
Molecular Weight440.36 g/mol
Exact Mass439.06
IUPAC Name2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide
SMILESCOCCn1c(SCC(=O)NC(C)C2CC2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H22BrN3O3S/c1-11(12-3-4-12)20-16(23)10-26-18-21-15-6-5-13(19)9-14(15)17(24)22(18)7-8-25-2/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,20,23)
InChIKeyIKELDMWJKNWDBF-UHFFFAOYSA-N
XLogP2.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 42323509
6-bromo-3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 32865472
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 42984932
6-bromo-3-(2-methoxyethyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 31804431
6-bromo-3-(2-methoxyethyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 112785030
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butan-2-ylacetamide
CID 18078897
(2S)-2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropanamide
CID 8643774
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 55523574
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7856953
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 55468566
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2611286
6-bromo-3-(2-methoxyethyl)-2-[(1R)-2-oxocycloheptyl]sulfanylquinazolin-4-one
CID 35499550

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide?
The IUPAC name of 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide (CID 55403246) is 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide is COCCn1c(SCC(=O)NC(C)C2CC2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide?
The InChIKey is IKELDMWJKNWDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3S/c1-11(12-3-4-12)20-16(23)10-26-18-21-15-6-5-13(19)9-14(15)17(24)22(18)7-8-25-2/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,20,23).
What are the key properties of 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide?
2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide has a molecular weight of 440.36 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide is sourced from PubChem (CID 55403246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).