2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

C24H21N3O3S — CID 1258095

IUPAC2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N3O3S/c1-16-7-3-5-9-20(16)25-22(28)15-31-24-26-21-10-6-4-8-19(21)23(29)27(24)17-11-13-18(30-2)14-12-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyOSZQXMKHAZKGCX-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.43
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 1258095) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID1258095
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N3O3S/c1-16-7-3-5-9-20(16)25-22(28)15-31-24-26-21-10-6-4-8-19(21)23(29)27(24)17-11-13-18(30-2)14-12-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyOSZQXMKHAZKGCX-UHFFFAOYSA-N
XLogP4.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[trans-4-(4-Cyanophenoxy)cyclohexyl]-3-[(4-Oxo-3,4-Dihydroquinazolin-2-Yl)sulfanyl]propanamide
CID 135566884
N-[4-(3-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136224210
N-[4-(4-fluorophenoxy)cyclohexyl]-3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136249378
4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 708934
2-(4-methoxyanilino)-4(3H)-quinazolinone
CID 135444387
3-(4-Methoxyphenyl)-2-methyl-4(3H)-quinazolinone
CID 63137
3-(4-methoxyphenyl)-2-(4-methylphenyl)quinazolin-4(3H)-one
CID 1895093
3-Ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 2105619
N-[2-(difluoromethoxy)phenyl]-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3957854
2-{[2-(2-fluorophenoxy)ethyl]sulfanyl}quinazolin-4(1H)-one
CID 135435929
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3H-quinazolin-4-one
CID 135517773
3'-(4-methoxyphenyl)-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
CID 1916592

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (CID 1258095) is 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is COc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is OSZQXMKHAZKGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-16-7-3-5-9-20(16)25-22(28)15-31-24-26-21-10-6-4-8-19(21)23(29)27(24)17-11-13-18(30-2)14-12-17/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 431.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1258095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).