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

C25H25FN4O2S — CID 5086815

IUPACN-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESO=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NC1CCCCC1
InChIInChI=1S/C25H25FN4O2S/c26-17-12-10-16(11-13-17)15-33-25-29-20-9-5-4-8-19(20)23-28-21(24(32)30(23)25)14-22(31)27-18-6-2-1-3-7-18/h4-5,8-13,18,21H,1-3,6-7,14-15H2,(H,27,31)
InChIKeyCYDUKSXULKYLNO-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.56
Rot. Bonds5

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

N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (PubChem CID 5086815) has the molecular formula C25H25FN4O2S and a molecular weight of 464.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
PubChem CID5086815
Molecular FormulaC25H25FN4O2S
Molecular Weight464.57 g/mol
Exact Mass464.17
IUPAC NameN-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESO=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NC1CCCCC1
InChIInChI=1S/C25H25FN4O2S/c26-17-12-10-16(11-13-17)15-33-25-29-20-9-5-4-8-19(20)23-28-21(24(32)30(23)25)14-22(31)27-18-6-2-1-3-7-18/h4-5,8-13,18,21H,1-3,6-7,14-15H2,(H,27,31)
InChIKeyCYDUKSXULKYLNO-UHFFFAOYSA-N
XLogP4.56
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.56
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-[(2-amino-2-oxoethyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}-N-(thien-2-ylmethyl)acetamide
CID 3243789
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
2-(5-{[(4-methylphenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 3432958
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 N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (CID 5086815) is N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The InChIKey is CYDUKSXULKYLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2S/c26-17-12-10-16(11-13-17)15-33-25-29-20-9-5-4-8-19(20)23-28-21(24(32)30(23)25)14-22(31)27-18-6-2-1-3-7-18/h4-5,8-13,18,21H,1-3,6-7,14-15H2,(H,27,31).
What are the key properties of N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide has a molecular weight of 464.57 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is sourced from PubChem (CID 5086815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).