2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide

C18H24BrN3O2S — CID 2499104

IUPAC2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide
SMILESCCCCCn1c(SCC(=O)NCCC)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H24BrN3O2S/c1-3-5-6-10-22-17(24)14-11-13(19)7-8-15(14)21-18(22)25-12-16(23)20-9-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,23)
InChIKeyKCQPQPUDOCTWJH-UHFFFAOYSA-N
MW426.38 g/mol
LogP3.97
Rot. Bonds9

About 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide

2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide (PubChem CID 2499104) has the molecular formula C18H24BrN3O2S and a molecular weight of 426.38 g/mol. Its IUPAC name is 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide
PubChem CID2499104
Molecular FormulaC18H24BrN3O2S
Molecular Weight426.38 g/mol
Exact Mass425.08
IUPAC Name2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide
SMILESCCCCCn1c(SCC(=O)NCCC)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H24BrN3O2S/c1-3-5-6-10-22-17(24)14-11-13(19)7-8-15(14)21-18(22)25-12-16(23)20-9-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,23)
InChIKeyKCQPQPUDOCTWJH-UHFFFAOYSA-N
XLogP3.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide
CID 18078900
2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-tert-butylacetamide
CID 2499094
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 42984932
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 18078904
3-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanylpropane-1-sulfonamide
CID 56521716
N-(3-bromophenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3494579
N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 22589719
diethyl-[2-[4-oxo-2-[2-oxo-2-(propylamino)ethyl]sulfanylquinazolin-3-yl]ethyl]azanium
CID 7956141
2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 19588783
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butan-2-ylacetamide
CID 18078897
N-butyl-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7691661

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide?
The IUPAC name of 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide (CID 2499104) is 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide is CCCCCn1c(SCC(=O)NCCC)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide?
The InChIKey is KCQPQPUDOCTWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2S/c1-3-5-6-10-22-17(24)14-11-13(19)7-8-15(14)21-18(22)25-12-16(23)20-9-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,23).
What are the key properties of 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide?
2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide has a molecular weight of 426.38 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 2499104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).