N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

C21H19ClN4O2S — CID 20965529

IUPACN-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCC(C)C1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O
InChIInChI=1S/C21H19ClN4O2S/c1-12(2)18-20(28)26-19(25-18)13-7-3-5-9-15(13)24-21(26)29-11-17(27)23-16-10-6-4-8-14(16)22/h3-10,12,18H,11H2,1-2H3,(H,23,27)
InChIKeyOURSHDHAPWWAKP-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.33
Rot. Bonds4

About N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 20965529) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID20965529
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC NameN-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCC(C)C1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O
InChIInChI=1S/C21H19ClN4O2S/c1-12(2)18-20(28)26-19(25-18)13-7-3-5-9-15(13)24-21(26)29-11-17(27)23-16-10-6-4-8-14(16)22/h3-10,12,18H,11H2,1-2H3,(H,23,27)
InChIKeyOURSHDHAPWWAKP-UHFFFAOYSA-N
XLogP4.33
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965539
N-(2,4-dimethoxyphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 4173258
N-(3,4-dimethoxyphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965549
N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92694432
(2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide
CID 92751010
(2R)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide
CID 98749394
N-(2-ethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965515
N-(2-ethylphenyl)-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965597
2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 92725947
N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92750712
2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide
CID 20965527
2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46349446

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 20965529) is N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is CC(C)C1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is OURSHDHAPWWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-12(2)18-20(28)26-19(25-18)13-7-3-5-9-15(13)24-21(26)29-11-17(27)23-16-10-6-4-8-14(16)22/h3-10,12,18H,11H2,1-2H3,(H,23,27).
What are the key properties of N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 426.93 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 20965529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).