2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C19H20BrN3O2S2 — CID 31720856

IUPAC2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCn1c(SCC(=O)N(C)Cc2cccs2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C19H20BrN3O2S2/c1-3-8-23-18(25)15-10-13(20)6-7-16(15)21-19(23)27-12-17(24)22(2)11-14-5-4-9-26-14/h4-7,9-10H,3,8,11-12H2,1-2H3
InChIKeyUQCWTEOEPWFVLH-UHFFFAOYSA-N
MW466.43 g/mol
LogP4.38
Rot. Bonds7

About 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 31720856) has the molecular formula C19H20BrN3O2S2 and a molecular weight of 466.43 g/mol. Its IUPAC name is 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID31720856
Molecular FormulaC19H20BrN3O2S2
Molecular Weight466.43 g/mol
Exact Mass465.02
IUPAC Name2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCn1c(SCC(=O)N(C)Cc2cccs2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C19H20BrN3O2S2/c1-3-8-23-18(25)15-10-13(20)6-7-16(15)21-19(23)27-12-17(24)22(2)11-14-5-4-9-26-14/h4-7,9-10H,3,8,11-12H2,1-2H3
InChIKeyUQCWTEOEPWFVLH-UHFFFAOYSA-N
XLogP4.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 7876150
2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 31458869
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 42985121
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 42984932
3-[(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 31649172
2-benzylsulfanyl-6-bromo-3-(thiophen-2-ylmethyl)quinazolin-4-one
CID 153124526
2-(3-benzyl-6-bromo-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 2980769
3-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile
CID 7896375
N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 29384962
2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide
CID 2499104
6-bromo-2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 46624081
2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-tert-butylacetamide
CID 2499094

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 31720856) is 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CCCn1c(SCC(=O)N(C)Cc2cccs2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UQCWTEOEPWFVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2S2/c1-3-8-23-18(25)15-10-13(20)6-7-16(15)21-19(23)27-12-17(24)22(2)11-14-5-4-9-26-14/h4-7,9-10H,3,8,11-12H2,1-2H3.
What are the key properties of 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 466.43 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 31720856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).