2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide

C25H19ClN4O3S — CID 16512406

IUPAC2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide
SMILESCOc1ccc(C)cc1-n1c(SCC(=O)Nc2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C25H19ClN4O3S/c1-15-3-10-22(33-2)21(11-15)30-24(32)19-9-6-17(26)12-20(19)29-25(30)34-14-23(31)28-18-7-4-16(13-27)5-8-18/h3-12H,14H2,1-2H3,(H,28,31)
InChIKeyCVWFEXVZAIAGRL-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.96
Rot. Bonds6

About 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide

2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide (PubChem CID 16512406) has the molecular formula C25H19ClN4O3S and a molecular weight of 490.97 g/mol. Its IUPAC name is 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide
PubChem CID16512406
Molecular FormulaC25H19ClN4O3S
Molecular Weight490.97 g/mol
Exact Mass490.09
IUPAC Name2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide
SMILESCOc1ccc(C)cc1-n1c(SCC(=O)Nc2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C25H19ClN4O3S/c1-15-3-10-22(33-2)21(11-15)30-24(32)19-9-6-17(26)12-20(19)29-25(30)34-14-23(31)28-18-7-4-16(13-27)5-8-18/h3-12H,14H2,1-2H3,(H,28,31)
InChIKeyCVWFEXVZAIAGRL-UHFFFAOYSA-N
XLogP4.96
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide with MolForge

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Related Compounds

2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 24594464
N-benzyl-2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42980629
2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 16512380
2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 30929284
2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 29330073
4-[[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 5138655
2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropanamide
CID 45351635
N-(2,6-difluorophenyl)-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2395814
N-(2-cyanoethyl)-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9329449
N-(3-cyanophenyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4782641
N-(4-cyanophenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532541
N-(4-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16538626

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide (CID 16512406) is 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide is COc1ccc(C)cc1-n1c(SCC(=O)Nc2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
The InChIKey is CVWFEXVZAIAGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3S/c1-15-3-10-22(33-2)21(11-15)30-24(32)19-9-6-17(26)12-20(19)29-25(30)34-14-23(31)28-18-7-4-16(13-27)5-8-18/h3-12H,14H2,1-2H3,(H,28,31).
What are the key properties of 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide has a molecular weight of 490.97 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 16512406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).