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

C24H25FN4O2S — CID 92751047

IUPAC(2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
SMILESCC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N12)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H25FN4O2S/c1-4-20(22(30)26-16-11-9-15(25)10-12-16)32-24-28-18-8-6-5-7-17(18)21-27-19(13-14(2)3)23(31)29(21)24/h5-12,14,19-20H,4,13H2,1-3H3,(H,26,30)/t19-,20-/m0/s1
InChIKeyAHBAELLWRFUJIZ-PMACEKPBSA-N
MW452.56 g/mol
LogP4.98
Rot. Bonds6

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

(2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (PubChem CID 92751047) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
PubChem CID92751047
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
SMILESCC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N12)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H25FN4O2S/c1-4-20(22(30)26-16-11-9-15(25)10-12-16)32-24-28-18-8-6-5-7-17(18)21-27-19(13-14(2)3)23(31)29(21)24/h5-12,14,19-20H,4,13H2,1-3H3,(H,26,30)/t19-,20-/m0/s1
InChIKeyAHBAELLWRFUJIZ-PMACEKPBSA-N
XLogP4.98
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751116
(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-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750882
N-(2,4-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 50798563
(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
CID 92751122
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751087
(2S)-N-(4-ethylphenyl)-2-[[(2R)-3-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98359220
N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 50798608
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750864
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-fluorophenyl)butanamide
CID 20965642
(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-fluorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751231

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (CID 92751047) is (2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N12)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The InChIKey is AHBAELLWRFUJIZ-PMACEKPBSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-4-20(22(30)26-16-11-9-15(25)10-12-16)32-24-28-18-8-6-5-7-17(18)21-27-19(13-14(2)3)23(31)29(21)24/h5-12,14,19-20H,4,13H2,1-3H3,(H,26,30)/t19-,20-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
(2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide has a molecular weight of 452.56 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is sourced from PubChem (CID 92751047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).