N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C16H12Cl2N4OS — CID 7133920

IUPACN-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ncc(Cl)cc2Cl)c2ccccc2n1
InChIInChI=1S/C16H12Cl2N4OS/c1-9-20-13-5-3-2-4-11(13)16(21-9)24-8-14(23)22-15-12(18)6-10(17)7-19-15/h2-7H,8H2,1H3,(H,19,22,23)
InChIKeyCHFXCGBEAOTPAZ-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.37
Rot. Bonds4

About N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7133920) has the molecular formula C16H12Cl2N4OS and a molecular weight of 379.27 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7133920
Molecular FormulaC16H12Cl2N4OS
Molecular Weight379.27 g/mol
Exact Mass378.01
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ncc(Cl)cc2Cl)c2ccccc2n1
InChIInChI=1S/C16H12Cl2N4OS/c1-9-20-13-5-3-2-4-11(13)16(21-9)24-8-14(23)22-15-12(18)6-10(17)7-19-15/h2-7H,8H2,1H3,(H,19,22,23)
InChIKeyCHFXCGBEAOTPAZ-UHFFFAOYSA-N
XLogP4.37
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-(3,5-dichloro-2-pyridinyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2386753
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542
N-(3,5-dichloro-2-pyridinyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2428295
N-(3-chloro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145571
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(3,5-dichloro-2-pyridinyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2416685
1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145374
1-(2,5-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7996691
N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 4683236
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78452790

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7133920) is N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2ncc(Cl)cc2Cl)c2ccccc2n1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is CHFXCGBEAOTPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4OS/c1-9-20-13-5-3-2-4-11(13)16(21-9)24-8-14(23)22-15-12(18)6-10(17)7-19-15/h2-7H,8H2,1H3,(H,19,22,23).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 379.27 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7133920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).