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

C21H18F2N4O2S — CID 163335956

IUPACN-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
SMILESCCC(SC1=Nc2ccccc2C2=NC(=O)C(C)N12)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C21H18F2N4O2S/c1-3-17(20(29)24-16-10-12(22)8-9-14(16)23)30-21-25-15-7-5-4-6-13(15)18-26-19(28)11(2)27(18)21/h4-11,17H,3H2,1-2H3,(H,24,29)
InChIKeyJUAGYIWXJKSHTN-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.09
Rot. Bonds4

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

N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide (PubChem CID 163335956) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
PubChem CID163335956
Molecular FormulaC21H18F2N4O2S
Molecular Weight428.46 g/mol
Exact Mass428.11
IUPAC NameN-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
SMILESCCC(SC1=Nc2ccccc2C2=NC(=O)C(C)N12)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C21H18F2N4O2S/c1-3-17(20(29)24-16-10-12(22)8-9-14(16)23)30-21-25-15-7-5-4-6-13(15)18-26-19(28)11(2)27(18)21/h4-11,17H,3H2,1-2H3,(H,24,29)
InChIKeyJUAGYIWXJKSHTN-UHFFFAOYSA-N
XLogP4.09
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
CID 163336710
(2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750729
N-(2-methylphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
CID 163337658
N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337033
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-fluorophenyl)butanamide
CID 20965642
(2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751047
N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
CID 163336042
N-(1,3-benzodioxol-5-yl)-2-[[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 163337177
N-(1,3-benzodioxol-5-yl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
CID 163335701
2-[[3-[2-(benzylamino)-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide
CID 156611084
N-(3-methoxyphenyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 156610900
(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750724

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide (CID 163335956) is N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide is CCC(SC1=Nc2ccccc2C2=NC(=O)C(C)N12)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide?
The InChIKey is JUAGYIWXJKSHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c1-3-17(20(29)24-16-10-12(22)8-9-14(16)23)30-21-25-15-7-5-4-6-13(15)18-26-19(28)11(2)27(18)21/h4-11,17H,3H2,1-2H3,(H,24,29).
What are the key properties of N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide?
N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide has a molecular weight of 428.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide is sourced from PubChem (CID 163335956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).