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

C25H26N4O2S — CID 92750919

IUPAC(2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCCC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)N3CCc4ccccc43)N2C1=O
InChIInChI=1S/C25H26N4O2S/c1-3-9-19-23(30)29-22(26-19)17-11-6-7-12-18(17)27-25(29)32-21(4-2)24(31)28-15-14-16-10-5-8-13-20(16)28/h5-8,10-13,19,21H,3-4,9,14-15H2,1-2H3/t19-,21-/m1/s1
InChIKeySCWUQOBLBUPZHK-TZIWHRDSSA-N
MW446.58 g/mol
LogP4.55
Rot. Bonds5

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

(2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 92750919) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is (2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name(2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID92750919
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name(2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCCC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)N3CCc4ccccc43)N2C1=O
InChIInChI=1S/C25H26N4O2S/c1-3-9-19-23(30)29-22(26-19)17-11-6-7-12-18(17)27-25(29)32-21(4-2)24(31)28-15-14-16-10-5-8-13-20(16)28/h5-8,10-13,19,21H,3-4,9,14-15H2,1-2H3/t19-,21-/m1/s1
InChIKeySCWUQOBLBUPZHK-TZIWHRDSSA-N
XLogP4.55
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-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
(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
(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
(2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750882
(2S)-N-(2,6-dimethylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750884
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956
(2R)-N-benzyl-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92725992
(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-(3,5-dimethoxyphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750924
2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46349446
2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
CID 23859710

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of (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) is (2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for (2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for (2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one is CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)N3CCc4ccccc43)N2C1=O.
What is the InChIKey of (2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is SCWUQOBLBUPZHK-TZIWHRDSSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-3-9-19-23(30)29-22(26-19)17-11-6-7-12-18(17)27-25(29)32-21(4-2)24(31)28-15-14-16-10-5-8-13-20(16)28/h5-8,10-13,19,21H,3-4,9,14-15H2,1-2H3/t19-,21-/m1/s1.
What are the key properties of (2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one?
(2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 446.58 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 92750919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).