N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

C22H22N4O2S — CID 92750712

IUPACN-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3C)N2C1=O
InChIInChI=1S/C22H22N4O2S/c1-3-8-18-21(28)26-20(24-18)15-10-5-7-12-17(15)25-22(26)29-13-19(27)23-16-11-6-4-9-14(16)2/h4-7,9-12,18H,3,8,13H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyRMVJUXOPMLCXOP-SFHVURJKSA-N
MW406.51 g/mol
LogP4.13
Rot. Bonds5

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

N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 92750712) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID92750712
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3C)N2C1=O
InChIInChI=1S/C22H22N4O2S/c1-3-8-18-21(28)26-20(24-18)15-10-5-7-12-17(15)25-22(26)29-13-19(27)23-16-11-6-4-9-14(16)2/h4-7,9-12,18H,3,8,13H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyRMVJUXOPMLCXOP-SFHVURJKSA-N
XLogP4.13
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92725890
N-(5-chloro-2-methylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349450
N-(3,5-dimethylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349451
2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46349446
2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 92725871
N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 18592348
N-[(4-fluorophenyl)methyl]-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349453
N-(2-ethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965515
N-butyl-3-[(2R)-5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 92694463
N-(2-ethylphenyl)-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965597
(2S)-N-(2,6-dimethylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750884
2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 92725947

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 92750712) is N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3C)N2C1=O.
What is the InChIKey of N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is RMVJUXOPMLCXOP-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-3-8-18-21(28)26-20(24-18)15-10-5-7-12-17(15)25-22(26)29-13-19(27)23-16-11-6-4-9-14(16)2/h4-7,9-12,18H,3,8,13H2,1-2H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 92750712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).