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

C26H28N4O2S — CID 50798499

IUPAC2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCCC(SC1=Nc2ccccc2C2=NC(C(C)CC)C(=O)N12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C26H28N4O2S/c1-4-16(3)22-25(32)30-23(28-22)18-11-7-8-12-19(18)27-26(30)33-21(5-2)24(31)29-15-14-17-10-6-9-13-20(17)29/h6-13,16,21-22H,4-5,14-15H2,1-3H3
InChIKeyYPVIWWOVQLNSNQ-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.79
Rot. Bonds5

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

2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 50798499) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID50798499
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Name2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCCC(SC1=Nc2ccccc2C2=NC(C(C)CC)C(=O)N12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C26H28N4O2S/c1-4-16(3)22-25(32)30-23(28-22)18-11-7-8-12-19(18)27-26(30)33-21(5-2)24(31)29-15-14-17-10-6-9-13-20(17)29/h6-13,16,21-22H,4-5,14-15H2,1-3H3
InChIKeyYPVIWWOVQLNSNQ-UHFFFAOYSA-N
XLogP4.79
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-({2-methyl-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)-N-(2-phenylethyl)acetamide
CID 16028657
2-{[2-(butan-2-yl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(2-methylphenyl)butanamide
CID 20965633
2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylbutanamide
CID 50798532
2-{[2-(2-methylpropyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-phenylbutanamide
CID 50798587
2-({2-[2-(butylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(2-methylphenyl)acetamide
CID 3237817
5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-3-one
CID 3243827
[(2-Isopropyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]acetonitrile
CID 3244416
N-benzyl-2-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 4247425
N-cyclohexyl-N-methyl-2-({3-oxo-2-phenyl-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide
CID 4685148
N-benzyl-3-[5-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 5061195
3-(5-{[(4-methylphenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 5067161
N-cyclohexyl-2-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 5086813

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of 2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (CID 50798499) is 2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for 2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for 2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is CCC(SC1=Nc2ccccc2C2=NC(C(C)CC)C(=O)N12)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is YPVIWWOVQLNSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-4-16(3)22-25(32)30-23(28-22)18-11-7-8-12-19(18)27-26(30)33-21(5-2)24(31)29-15-14-17-10-6-9-13-20(17)29/h6-13,16,21-22H,4-5,14-15H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 460.60 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 50798499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).