methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate

C15H17BrN2O3S — CID 7896376

IUPACmethyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate
SMILESCCCn1c(S[C@@H](C)C(=O)OC)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C15H17BrN2O3S/c1-4-7-18-13(19)11-8-10(16)5-6-12(11)17-15(18)22-9(2)14(20)21-3/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1
InChIKeyGSAJGLBPRRSDMF-VIFPVBQESA-N
MW385.28 g/mol
LogP3.22
Rot. Bonds5

About methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate

methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate (PubChem CID 7896376) has the molecular formula C15H17BrN2O3S and a molecular weight of 385.28 g/mol. Its IUPAC name is methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate
PubChem CID7896376
Molecular FormulaC15H17BrN2O3S
Molecular Weight385.28 g/mol
Exact Mass384.01
IUPAC Namemethyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate
SMILESCCCn1c(S[C@@H](C)C(=O)OC)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C15H17BrN2O3S/c1-4-7-18-13(19)11-8-10(16)5-6-12(11)17-15(18)22-9(2)14(20)21-3/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1
InChIKeyGSAJGLBPRRSDMF-VIFPVBQESA-N
XLogP3.22
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropanamide
CID 8643774
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 42984932
N-(1,3-benzodioxol-5-yl)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 42983705
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 46825133
6-bromo-3-propyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 55578353
methyl (2S)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanoate
CID 7691801
2-[6-bromo-3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 112785413
(2S)-2-[6-bromo-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7896203
3-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile
CID 7896375
(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202
2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide
CID 2499104
N'-[(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoyl]benzohydrazide
CID 8940921

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate?
The IUPAC name of methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate (CID 7896376) is methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate.
What is the SMILES notation for methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate?
The canonical SMILES for methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate is CCCn1c(S[C@@H](C)C(=O)OC)nc2ccc(Br)cc2c1=O.
What is the InChIKey of methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate?
The InChIKey is GSAJGLBPRRSDMF-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17BrN2O3S/c1-4-7-18-13(19)11-8-10(16)5-6-12(11)17-15(18)22-9(2)14(20)21-3/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate?
methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate has a molecular weight of 385.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate is sourced from PubChem (CID 7896376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).