N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide

C28H20ClN3O3S — CID 2109363

IUPACN-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C28H20ClN3O3S/c29-23-11-5-7-13-25(23)30-26(33)18-36-28-31-24-12-6-4-10-22(24)27(34)32(28)19-14-16-21(17-15-19)35-20-8-2-1-3-9-20/h1-17H,18H2,(H,30,33)
InChIKeySXEPCSIZGQZKHD-UHFFFAOYSA-N
MW514.01 g/mol
LogP6.56
Rot. Bonds7

About N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide

N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 2109363) has the molecular formula C28H20ClN3O3S and a molecular weight of 514.01 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID2109363
Molecular FormulaC28H20ClN3O3S
Molecular Weight514.01 g/mol
Exact Mass513.09
IUPAC NameN-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C28H20ClN3O3S/c29-23-11-5-7-13-25(23)30-26(33)18-36-28-31-24-12-6-4-10-22(24)27(34)32(28)19-14-16-21(17-15-19)35-20-8-2-1-3-9-20/h1-17H,18H2,(H,30,33)
InChIKeySXEPCSIZGQZKHD-UHFFFAOYSA-N
XLogP6.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.01
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16500260
N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2545587
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23932140
N-(3,5-dichlorophenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1393055
N-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1071941
N-(4-chloro-2-fluorophenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3951706
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
N-(2-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3675546
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 3568329
N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1432211
2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 16503956
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 23991945

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide (CID 2109363) is N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is SXEPCSIZGQZKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN3O3S/c29-23-11-5-7-13-25(23)30-26(33)18-36-28-31-24-12-6-4-10-22(24)27(34)32(28)19-14-16-21(17-15-19)35-20-8-2-1-3-9-20/h1-17H,18H2,(H,30,33).
What are the key properties of N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 514.01 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2109363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).