2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide

C30H25N3O2S — CID 16531355

IUPAC2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
SMILESCc1cccc(-n2c(SCC(=O)Nc3ccccc3-c3ccccc3)nc3ccccc3c2=O)c1C
InChIInChI=1S/C30H25N3O2S/c1-20-11-10-18-27(21(20)2)33-29(35)24-15-7-9-17-26(24)32-30(33)36-19-28(34)31-25-16-8-6-14-23(25)22-12-4-3-5-13-22/h3-18H,19H2,1-2H3,(H,31,34)
InChIKeyMRWXRZQLRQJEBR-UHFFFAOYSA-N
MW491.62 g/mol
LogP6.40
Rot. Bonds6

About 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide

2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide (PubChem CID 16531355) has the molecular formula C30H25N3O2S and a molecular weight of 491.62 g/mol. Its IUPAC name is 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
PubChem CID16531355
Molecular FormulaC30H25N3O2S
Molecular Weight491.62 g/mol
Exact Mass491.17
IUPAC Name2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
SMILESCc1cccc(-n2c(SCC(=O)Nc3ccccc3-c3ccccc3)nc3ccccc3c2=O)c1C
InChIInChI=1S/C30H25N3O2S/c1-20-11-10-18-27(21(20)2)33-29(35)24-15-7-9-17-26(24)32-30(33)36-19-28(34)31-25-16-8-6-14-23(25)22-12-4-3-5-13-22/h3-18H,19H2,1-2H3,(H,31,34)
InChIKeyMRWXRZQLRQJEBR-UHFFFAOYSA-N
XLogP6.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2565250
N-[2-(difluoromethoxy)phenyl]-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 35589835
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 24573268
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 16532701
N-[(2S)-butan-2-yl]-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2693456
ethyl N-[2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 7418989
N-(3,5-dichloro-2-pyridinyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2416685
N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16531360
N-(2,6-dimethylphenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532517
N-(2-cyanoethyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4793644
2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 42986269
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2584491

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide (CID 16531355) is 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide is Cc1cccc(-n2c(SCC(=O)Nc3ccccc3-c3ccccc3)nc3ccccc3c2=O)c1C.
What is the InChIKey of 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide?
The InChIKey is MRWXRZQLRQJEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O2S/c1-20-11-10-18-27(21(20)2)33-29(35)24-15-7-9-17-26(24)32-30(33)36-19-28(34)31-25-16-8-6-14-23(25)22-12-4-3-5-13-22/h3-18H,19H2,1-2H3,(H,31,34).
What are the key properties of 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide?
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide has a molecular weight of 491.62 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 16531355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).