1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone

C17H12Cl2N2OS — CID 7145374

IUPAC1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
SMILESCc1nc(SCC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1
InChIInChI=1S/C17H12Cl2N2OS/c1-10-20-15-5-3-2-4-13(15)17(21-10)23-9-16(22)12-7-6-11(18)8-14(12)19/h2-8H,9H2,1H3
InChIKeyMMVMEYSRCIHVAO-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.22
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone

1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone (PubChem CID 7145374) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
PubChem CID7145374
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
SMILESCc1nc(SCC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1
InChIInChI=1S/C17H12Cl2N2OS/c1-10-20-15-5-3-2-4-13(15)17(21-10)23-9-16(22)12-7-6-11(18)8-14(12)19/h2-8H,9H2,1H3
InChIKeyMMVMEYSRCIHVAO-UHFFFAOYSA-N
XLogP5.22
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7996691
N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133920
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78452790
1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145313
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 112842058
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7680307
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145864
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542
1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone
CID 2826033

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone (CID 7145374) is 1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone is Cc1nc(SCC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
The InChIKey is MMVMEYSRCIHVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c1-10-20-15-5-3-2-4-13(15)17(21-10)23-9-16(22)12-7-6-11(18)8-14(12)19/h2-8H,9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone has a molecular weight of 363.27 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone is sourced from PubChem (CID 7145374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).