6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione

C11H10Cl2N2O4S — CID 167878821

IUPAC6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione
SMILESCS(=O)(=O)CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc2c1=O
InChIInChI=1S/C11H10Cl2N2O4S/c1-20(18,19)3-2-15-10(16)6-4-7(12)8(13)5-9(6)14-11(15)17/h4-5H,2-3H2,1H3,(H,14,17)
InChIKeyXQXWBXNSWXGQCF-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.04
Rot. Bonds3

About 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione

6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione (PubChem CID 167878821) has the molecular formula C11H10Cl2N2O4S and a molecular weight of 337.18 g/mol. Its IUPAC name is 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione
PubChem CID167878821
Molecular FormulaC11H10Cl2N2O4S
Molecular Weight337.18 g/mol
Exact Mass335.97
IUPAC Name6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione
SMILESCS(=O)(=O)CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc2c1=O
InChIInChI=1S/C11H10Cl2N2O4S/c1-20(18,19)3-2-15-10(16)6-4-7(12)8(13)5-9(6)14-11(15)17/h4-5H,2-3H2,1H3,(H,14,17)
InChIKeyXQXWBXNSWXGQCF-UHFFFAOYSA-N
XLogP1.04
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

N-(5-Chloro-2-methylphenyl)-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-YL}acetamide
CID 15989505
1'-Acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169511
6,7-Dichloro-3-phenylquinazoline-2,4(1h,3h)-dione
CID 129857917
3-butyl-6-chloro-1H-quinazoline-2,4-dione
CID 58822013
LC3B recruiter 2
CID 115587402
N-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 17504594
6-Chloro-1-(methylsulfanylmethyl)quinazoline-2,4-dione
CID 16095889
7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione
CID 9904525
6-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione
CID 10149570
3-(3,4-dichlorobenzyl)-2,4(1H,3H)-quinazolinedione
CID 14458934
Ethyl 2-(6,7-dichloro-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl)acetate
CID 14459011
6-chloro-3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione
CID 14986598

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione (CID 167878821) is 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione is CS(=O)(=O)CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc2c1=O.
What is the InChIKey of 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione?
The InChIKey is XQXWBXNSWXGQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O4S/c1-20(18,19)3-2-15-10(16)6-4-7(12)8(13)5-9(6)14-11(15)17/h4-5H,2-3H2,1H3,(H,14,17).
What are the key properties of 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione?
6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione has a molecular weight of 337.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 167878821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).