(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide

C23H24N4O4S — CID 92750724

IUPAC(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
SMILESCC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N12)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C23H24N4O4S/c1-5-19(21(28)25-17-11-10-14(30-3)12-18(17)31-4)32-23-26-16-9-7-6-8-15(16)20-24-13(2)22(29)27(20)23/h6-13,19H,5H2,1-4H3,(H,25,28)/t13-,19+/m0/s1
InChIKeyCCEBWJHQYZXGPH-ORAYPTAESA-N
MW452.54 g/mol
LogP3.83
Rot. Bonds6

About (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide

(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (PubChem CID 92750724) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
PubChem CID92750724
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
SMILESCC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N12)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C23H24N4O4S/c1-5-19(21(28)25-17-11-10-14(30-3)12-18(17)31-4)32-23-26-16-9-7-6-8-15(16)20-24-13(2)22(29)27(20)23/h6-13,19H,5H2,1-4H3,(H,25,28)/t13-,19+/m0/s1
InChIKeyCCEBWJHQYZXGPH-ORAYPTAESA-N
XLogP3.83
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 50798563
(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92712213
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide
CID 98331508
N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
CID 163336710
(2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750729
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751055
(2R)-N-(3-methoxyphenyl)-2-[[(2S)-2-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98357650
(2R)-N-(3-methoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750776
N-(2,4-dimethoxyphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 4173258
(2S)-2-[[(2S)-2-[3-(butylamino)-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide
CID 98354156
2-[[2-[3-(butylamino)-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide
CID 22589542
(2R)-N-(4-ethylphenyl)-2-[[(2R)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98357613

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (CID 92750724) is (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The canonical SMILES for (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N12)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The InChIKey is CCEBWJHQYZXGPH-ORAYPTAESA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-5-19(21(28)25-17-11-10-14(30-3)12-18(17)31-4)32-23-26-16-9-7-6-8-15(16)20-24-13(2)22(29)27(20)23/h6-13,19H,5H2,1-4H3,(H,25,28)/t13-,19+/m0/s1.
What are the key properties of (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide has a molecular weight of 452.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is sourced from PubChem (CID 92750724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).