(2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one

C25H26N4O2S — CID 92750828

IUPAC(2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C25H26N4O2S/c1-4-20(23(30)28-14-13-16-9-5-8-12-19(16)28)32-25-26-18-11-7-6-10-17(18)22-27-21(15(2)3)24(31)29(22)25/h5-12,15,20-21H,4,13-14H2,1-3H3/t20-,21+/m1/s1
InChIKeyUYQIPRHOBQWYAX-RTWAWAEBSA-N
MW446.58 g/mol
LogP4.40
Rot. Bonds4

About (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one

(2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 92750828) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name(2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID92750828
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name(2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C25H26N4O2S/c1-4-20(23(30)28-14-13-16-9-5-8-12-19(16)28)32-25-26-18-11-7-6-10-17(18)22-27-21(15(2)3)24(31)29(22)25/h5-12,15,20-21H,4,13-14H2,1-3H3/t20-,21+/m1/s1
InChIKeyUYQIPRHOBQWYAX-RTWAWAEBSA-N
XLogP4.40
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one with MolForge

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Related Compounds

5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 50798517
(2R)-5-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92750917
(2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92750919
(2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92751138
2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
CID 23859710
(2S)-N-cyclohexyl-2-[[(2R)-2-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92694552
(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
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
N-(5-chloro-2-methylphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965539
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butan-1-one
CID 23773389
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926596

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one (CID 92750828) is (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one is CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N12)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is UYQIPRHOBQWYAX-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-4-20(23(30)28-14-13-16-9-5-8-12-19(16)28)32-25-26-18-11-7-6-10-17(18)22-27-21(15(2)3)24(31)29(22)25/h5-12,15,20-21H,4,13-14H2,1-3H3/t20-,21+/m1/s1.
What are the key properties of (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one?
(2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 446.58 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 92750828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).