2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide

C22H23ClN4O3S — CID 41114193

IUPAC2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C(C)C
InChIInChI=1S/C22H23ClN4O3S/c1-4-24-21(30)26-19(28)12-31-22-25-17-11-14(23)9-10-16(17)20(29)27(22)18-8-6-5-7-15(18)13(2)3/h5-11,13H,4,12H2,1-3H3,(H2,24,26,28,30)
InChIKeyAQMVFNQBKILOLJ-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.10
Rot. Bonds6

About 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide

2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide (PubChem CID 41114193) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide
PubChem CID41114193
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC Name2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C(C)C
InChIInChI=1S/C22H23ClN4O3S/c1-4-24-21(30)26-19(28)12-31-22-25-17-11-14(23)9-10-16(17)20(29)27(22)18-8-6-5-7-15(18)13(2)3/h5-11,13H,4,12H2,1-3H3,(H2,24,26,28,30)
InChIKeyAQMVFNQBKILOLJ-UHFFFAOYSA-N
XLogP4.10
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 7804645
N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23931253
(2S)-N-(ethylcarbamoyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide
CID 2638428
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 23741013
4-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylbutanenitrile
CID 7804647
N-(3,4-dichlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23855223
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 2600171
N-(2-methoxyethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2563558
2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43023924
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23798479
N-(ethylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4014846

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide (CID 41114193) is 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C(C)C.
What is the InChIKey of 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide?
The InChIKey is AQMVFNQBKILOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-4-24-21(30)26-19(28)12-31-22-25-17-11-14(23)9-10-16(17)20(29)27(22)18-8-6-5-7-15(18)13(2)3/h5-11,13H,4,12H2,1-3H3,(H2,24,26,28,30).
What are the key properties of 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide?
2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 41114193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).