2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide

C24H23ClN4O2S — CID 31178430

IUPAC2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
SMILESCc1ccccc1-n1c(SCC(=O)NC2(C#N)CCCCC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C24H23ClN4O2S/c1-16-7-3-4-8-20(16)29-22(31)18-10-9-17(25)13-19(18)27-23(29)32-14-21(30)28-24(15-26)11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,28,30)
InChIKeyMBMQSEHOYNGJCH-UHFFFAOYSA-N
MW466.99 g/mol
LogP4.78
Rot. Bonds5

About 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide

2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide (PubChem CID 31178430) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
PubChem CID31178430
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
SMILESCc1ccccc1-n1c(SCC(=O)NC2(C#N)CCCCC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C24H23ClN4O2S/c1-16-7-3-4-8-20(16)29-22(31)18-10-9-17(25)13-19(18)27-23(29)32-14-21(30)28-24(15-26)11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,28,30)
InChIKeyMBMQSEHOYNGJCH-UHFFFAOYSA-N
XLogP4.78
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 42980258
N-(1-cyanocyclopentyl)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41408654
N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4819488
2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 7428048
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 4822981
N-(1-cyanocyclopentyl)-2-[[11-(2-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetamide
CID 42980174
N-(3-acetylphenyl)-2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2108406
2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 24684519
2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 42984840
2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 29330073
2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 42980062
(2S)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide
CID 41101622

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide (CID 31178430) is 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide is Cc1ccccc1-n1c(SCC(=O)NC2(C#N)CCCCC2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is MBMQSEHOYNGJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-16-7-3-4-8-20(16)29-22(31)18-10-9-17(25)13-19(18)27-23(29)32-14-21(30)28-24(15-26)11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,28,30).
What are the key properties of 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide?
2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 466.99 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 31178430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).