N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide

C27H22F2N4O2S — CID 5171198

IUPACN-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
SMILESO=C(CCC1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C27H22F2N4O2S/c28-19-11-9-17(10-12-19)15-30-24(34)14-13-23-26(35)33-25(31-23)20-6-2-4-8-22(20)32-27(33)36-16-18-5-1-3-7-21(18)29/h1-12,23H,13-16H2,(H,30,34)
InChIKeySRYHHBVJBYNZFE-UHFFFAOYSA-N
MW504.56 g/mol
LogP4.95
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide (PubChem CID 5171198) has the molecular formula C27H22F2N4O2S and a molecular weight of 504.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
PubChem CID5171198
Molecular FormulaC27H22F2N4O2S
Molecular Weight504.56 g/mol
Exact Mass504.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
SMILESO=C(CCC1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C27H22F2N4O2S/c28-19-11-9-17(10-12-19)15-30-24(34)14-13-23-26(35)33-25(31-23)20-6-2-4-8-22(20)32-27(33)36-16-18-5-1-3-7-21(18)29/h1-12,23H,13-16H2,(H,30,34)
InChIKeySRYHHBVJBYNZFE-UHFFFAOYSA-N
XLogP4.95
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 15988166
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-[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
2-(5-{[(4-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 3326084
3-(5-{[(4-methylphenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]propanamide
CID 3441668
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide (CID 5171198) is N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide is O=C(CCC1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?
The InChIKey is SRYHHBVJBYNZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N4O2S/c28-19-11-9-17(10-12-19)15-30-24(34)14-13-23-26(35)33-25(31-23)20-6-2-4-8-22(20)32-27(33)36-16-18-5-1-3-7-21(18)29/h1-12,23H,13-16H2,(H,30,34).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide has a molecular weight of 504.56 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide is sourced from PubChem (CID 5171198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).