N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

C24H17BrN4O2S — CID 92712187

IUPACN-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESO=C(CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N12)Nc1ccc(Br)cc1
InChIInChI=1S/C24H17BrN4O2S/c25-16-10-12-17(13-11-16)26-20(30)14-32-24-27-19-9-5-4-8-18(19)22-28-21(23(31)29(22)24)15-6-2-1-3-7-15/h1-13,21H,14H2,(H,26,30)/t21-/m0/s1
InChIKeyWNGCVQZMBIHQAN-NRFANRHFSA-N
MW505.40 g/mol
LogP5.15
Rot. Bonds4

About N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 92712187) has the molecular formula C24H17BrN4O2S and a molecular weight of 505.40 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID92712187
Molecular FormulaC24H17BrN4O2S
Molecular Weight505.40 g/mol
Exact Mass504.03
IUPAC NameN-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESO=C(CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N12)Nc1ccc(Br)cc1
InChIInChI=1S/C24H17BrN4O2S/c25-16-10-12-17(13-11-16)26-20(30)14-32-24-27-19-9-5-4-8-18(19)22-28-21(23(31)29(22)24)15-6-2-1-3-7-15/h1-13,21H,14H2,(H,26,30)/t21-/m0/s1
InChIKeyWNGCVQZMBIHQAN-NRFANRHFSA-N
XLogP5.15
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965597
2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20852177
N-(4-bromophenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163336403
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92725955
2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46349446
N-benzyl-3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 5019034
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751231
(2R)-N-(4-chlorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751222
N-(3,5-dimethylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349451
(2S)-N-(4-methoxyphenyl)-2-[[(2R)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751201
N-(3,5-dimethoxyphenyl)-2-[[(2R)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 41493044
3-[3-oxo-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)propanamide
CID 46369629

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 92712187) is N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is O=C(CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N12)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is WNGCVQZMBIHQAN-NRFANRHFSA-N. The full InChI is InChI=1S/C24H17BrN4O2S/c25-16-10-12-17(13-11-16)26-20(30)14-32-24-27-19-9-5-4-8-18(19)22-28-21(23(31)29(22)24)15-6-2-1-3-7-15/h1-13,21H,14H2,(H,26,30)/t21-/m0/s1.
What are the key properties of N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 505.40 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 92712187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).