N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide

C22H14Cl2FN3OS — CID 3166645

IUPACN-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C22H14Cl2FN3OS/c23-16-7-4-8-18(20(16)24)26-19(29)12-30-22-15-11-14(25)9-10-17(15)27-21(28-22)13-5-2-1-3-6-13/h1-11H,12H2,(H,26,29)
InChIKeyQXSZVTABTXYTKP-UHFFFAOYSA-N
MW458.35 g/mol
LogP6.47
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide

N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide (PubChem CID 3166645) has the molecular formula C22H14Cl2FN3OS and a molecular weight of 458.35 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
PubChem CID3166645
Molecular FormulaC22H14Cl2FN3OS
Molecular Weight458.35 g/mol
Exact Mass457.02
IUPAC NameN-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C22H14Cl2FN3OS/c23-16-7-4-8-18(20(16)24)26-19(29)12-30-22-15-11-14(25)9-10-17(15)27-21(28-22)13-5-2-1-3-6-13/h1-11H,12H2,(H,26,29)
InChIKeyQXSZVTABTXYTKP-UHFFFAOYSA-N
XLogP6.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.35
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136401
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166643
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1129852
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetic acid
CID 1136287
2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3137509
N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136408
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-prop-2-enylacetamide
CID 3808223
N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide
CID 1167934
N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3135640
N-(2,3-dichlorophenyl)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3641559
N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 3256970
2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 1164159

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide (CID 3166645) is N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide is O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is QXSZVTABTXYTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN3OS/c23-16-7-4-8-18(20(16)24)26-19(29)12-30-22-15-11-14(25)9-10-17(15)27-21(28-22)13-5-2-1-3-6-13/h1-11H,12H2,(H,26,29).
What are the key properties of N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 458.35 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3166645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).