2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C20H21ClN4O3S — CID 24596557

IUPAC2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)on1
InChIInChI=1S/C20H21ClN4O3S/c1-12-9-18(28-24-12)23-17(26)11-29-20-22-16-10-13(21)7-8-15(16)19(27)25(20)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,23,26)
InChIKeyPTCTYBXBGFCWSV-UHFFFAOYSA-N
MW432.93 g/mol
LogP4.58
Rot. Bonds5

About 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 24596557) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID24596557
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)on1
InChIInChI=1S/C20H21ClN4O3S/c1-12-9-18(28-24-12)23-17(26)11-29-20-22-16-10-13(21)7-8-15(16)19(27)25(20)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,23,26)
InChIKeyPTCTYBXBGFCWSV-UHFFFAOYSA-N
XLogP4.58
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

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Related Compounds

2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 2662815
7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2531783
2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 2418977
2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 2530674
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-(4-chloro-2-methylphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980194
7-chloro-3-cyclopentyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 40952418
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 7988602
4-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile
CID 4783005
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7988471
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 126479001
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 112785733

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 24596557) is 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)on1.
What is the InChIKey of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is PTCTYBXBGFCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-12-9-18(28-24-12)23-17(26)11-29-20-22-16-10-13(21)7-8-15(16)19(27)25(20)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,23,26).
What are the key properties of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 432.93 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 24596557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).