2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide

C25H28N4O2S — CID 20965633

IUPAC2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide
SMILESCCC(SC1=Nc2ccccc2C2=NC(C(C)CC)C(=O)N12)C(=O)Nc1ccccc1C
InChIInChI=1S/C25H28N4O2S/c1-5-15(3)21-24(31)29-22(28-21)17-12-8-10-14-19(17)27-25(29)32-20(6-2)23(30)26-18-13-9-7-11-16(18)4/h7-15,20-21H,5-6H2,1-4H3,(H,26,30)
InChIKeyHTFJGDBBWXQQCN-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.15
Rot. Bonds6

About 2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide

2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide (PubChem CID 20965633) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide
PubChem CID20965633
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide
SMILESCCC(SC1=Nc2ccccc2C2=NC(C(C)CC)C(=O)N12)C(=O)Nc1ccccc1C
InChIInChI=1S/C25H28N4O2S/c1-5-15(3)21-24(31)29-22(28-21)17-12-8-10-14-19(17)27-25(29)32-20(6-2)23(30)26-18-13-9-7-11-16(18)4/h7-15,20-21H,5-6H2,1-4H3,(H,26,30)
InChIKeyHTFJGDBBWXQQCN-UHFFFAOYSA-N
XLogP5.15
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-({2-methyl-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)-N-(2-phenylethyl)acetamide
CID 16028657
2-sec-butyl-5-{[1-(2,3-dihydro-1H-indol-1-ylcarbonyl)propyl]thio}imidazo[1,2-c]quinazolin-3(2H)-one
CID 50798499
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-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
2-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(phenylmethyl)acetamide
CID 3235767
2-({2-[2-(butylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(2-methylphenyl)acetamide
CID 3237817
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2-[(2-isopropyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]acetamide
CID 3238304
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide?
The IUPAC name of 2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide (CID 20965633) is 2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide?
The canonical SMILES for 2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide is CCC(SC1=Nc2ccccc2C2=NC(C(C)CC)C(=O)N12)C(=O)Nc1ccccc1C.
What is the InChIKey of 2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide?
The InChIKey is HTFJGDBBWXQQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-5-15(3)21-24(31)29-22(28-21)17-12-8-10-14-19(17)27-25(29)32-20(6-2)23(30)26-18-13-9-7-11-16(18)4/h7-15,20-21H,5-6H2,1-4H3,(H,26,30).
What are the key properties of 2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide?
2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide has a molecular weight of 448.59 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 20965633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).