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

C22H22N4O3S — CID 92694432

IUPACN-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N23)c1
InChIInChI=1S/C22H22N4O3S/c1-13(2)19-21(28)26-20(25-19)16-9-4-5-10-17(16)24-22(26)30-12-18(27)23-14-7-6-8-15(11-14)29-3/h4-11,13,19H,12H2,1-3H3,(H,23,27)/t19-/m0/s1
InChIKeyFPEWQYDNDCYINW-IBGZPJMESA-N
MW422.51 g/mol
LogP3.68
Rot. Bonds5

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

N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 92694432) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID92694432
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N23)c1
InChIInChI=1S/C22H22N4O3S/c1-13(2)19-21(28)26-20(25-19)16-9-4-5-10-17(16)24-22(26)30-12-18(27)23-14-7-6-8-15(11-14)29-3/h4-11,13,19H,12H2,1-3H3,(H,23,27)/t19-/m0/s1
InChIKeyFPEWQYDNDCYINW-IBGZPJMESA-N
XLogP3.68
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965549
N-(2,4-dimethoxyphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 4173258
N-(3,5-dimethoxyphenyl)-2-[[(2R)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 41493044
N-cyclohexyl-2-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 5086812
N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965529
N-(3-methoxyphenyl)-2-[[(2R)-3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 98202931
N-(5-chloro-2-methylphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965539
(2R)-N-(3-methoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750776
(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750847
N-[(3-methoxyphenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92725903
(2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide
CID 92750999
N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 46349469

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 92694432) is N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is COc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is FPEWQYDNDCYINW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-13(2)19-21(28)26-20(25-19)16-9-4-5-10-17(16)24-22(26)30-12-18(27)23-14-7-6-8-15(11-14)29-3/h4-11,13,19H,12H2,1-3H3,(H,23,27)/t19-/m0/s1.
What are the key properties of N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 422.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 92694432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).