N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide

C23H17ClFN3OS — CID 3136401

IUPACN-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1Cl
InChIInChI=1S/C23H17ClFN3OS/c1-14-7-9-17(12-19(14)24)26-21(29)13-30-23-18-11-16(25)8-10-20(18)27-22(28-23)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,29)
InChIKeyFHNGPPRBWIZEBI-UHFFFAOYSA-N
MW437.93 g/mol
LogP6.13
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide

N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide (PubChem CID 3136401) has the molecular formula C23H17ClFN3OS and a molecular weight of 437.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
PubChem CID3136401
Molecular FormulaC23H17ClFN3OS
Molecular Weight437.93 g/mol
Exact Mass437.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1Cl
InChIInChI=1S/C23H17ClFN3OS/c1-14-7-9-17(12-19(14)24)26-21(29)13-30-23-18-11-16(25)8-10-20(18)27-22(28-23)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,29)
InChIKeyFHNGPPRBWIZEBI-UHFFFAOYSA-N
XLogP6.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1129852
N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166645
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166643
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetic acid
CID 1136287
N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166672
N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide
CID 1167934
2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 1459615
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-prop-2-enylacetamide
CID 3808223
N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3135640
2-(6-methyl-2-phenylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 3135641
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 1155973
2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3137509

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide (CID 3136401) is N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is FHNGPPRBWIZEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3OS/c1-14-7-9-17(12-19(14)24)26-21(29)13-30-23-18-11-16(25)8-10-20(18)27-22(28-23)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 437.93 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3136401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).