N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide

C19H15Cl2N3O3S — CID 52641955

IUPACN-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1cc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)ccc1NC(C)=O
InChIInChI=1S/C19H15Cl2N3O3S/c1-10(25)23-15-4-3-11(5-17(15)28-2)16(26)8-24-9-22-18-13(19(24)27)6-12(20)7-14(18)21/h3-7,9H,8H2,1-2H3,(H,23,25)
InChIKeyJGVDDFSEKGNZFT-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.27
Rot. Bonds5

About N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide

N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 52641955) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide
PubChem CID52641955
Molecular FormulaC19H15Cl2N3O3S
Molecular Weight436.32 g/mol
Exact Mass435.02
IUPAC NameN-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1cc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)ccc1NC(C)=O
InChIInChI=1S/C19H15Cl2N3O3S/c1-10(25)23-15-4-3-11(5-17(15)28-2)16(26)8-24-9-22-18-13(19(24)27)6-12(20)7-14(18)21/h3-7,9H,8H2,1-2H3,(H,23,25)
InChIKeyJGVDDFSEKGNZFT-UHFFFAOYSA-N
XLogP4.27
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide (CID 52641955) is N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide is CSc1cc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)ccc1NC(C)=O.
What is the InChIKey of N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is JGVDDFSEKGNZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c1-10(25)23-15-4-3-11(5-17(15)28-2)16(26)8-24-9-22-18-13(19(24)27)6-12(20)7-14(18)21/h3-7,9H,8H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide?
N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 436.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 52641955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).