2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide

C25H25ClN4O2S — CID 5086818

IUPAC2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide
SMILESO=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NC1CCCCC1
InChIInChI=1S/C25H25ClN4O2S/c26-19-12-6-4-8-16(19)15-33-25-29-20-13-7-5-11-18(20)23-28-21(24(32)30(23)25)14-22(31)27-17-9-2-1-3-10-17/h4-8,11-13,17,21H,1-3,9-10,14-15H2,(H,27,31)
InChIKeyUSEVRQNOTWRXFA-UHFFFAOYSA-N
MW481.02 g/mol
LogP5.07
Rot. Bonds5

About 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide

2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide (PubChem CID 5086818) has the molecular formula C25H25ClN4O2S and a molecular weight of 481.02 g/mol. Its IUPAC name is 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide
PubChem CID5086818
Molecular FormulaC25H25ClN4O2S
Molecular Weight481.02 g/mol
Exact Mass480.14
IUPAC Name2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide
SMILESO=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NC1CCCCC1
InChIInChI=1S/C25H25ClN4O2S/c26-19-12-6-4-8-16(19)15-33-25-29-20-13-7-5-11-18(20)23-28-21(24(32)30(23)25)14-22(31)27-17-9-2-1-3-10-17/h4-8,11-13,17,21H,1-3,9-10,14-15H2,(H,27,31)
InChIKeyUSEVRQNOTWRXFA-UHFFFAOYSA-N
XLogP5.07
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.02
LogP ≤ 55.07
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-[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-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 3326089
N-benzyl-2-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 4247425
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
N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 5086815
N-cyclohexyl-2-[3-oxo-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 5086816
2-[5-[(3-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide
CID 5086820
2-(5-((4-fluorobenzyl)thio)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-phenethylacetamide
CID 5162264

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide (CID 5086818) is 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide is O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NC1CCCCC1.
What is the InChIKey of 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide?
The InChIKey is USEVRQNOTWRXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2S/c26-19-12-6-4-8-16(19)15-33-25-29-20-13-7-5-11-18(20)23-28-21(24(32)30(23)25)14-22(31)27-17-9-2-1-3-10-17/h4-8,11-13,17,21H,1-3,9-10,14-15H2,(H,27,31).
What are the key properties of 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide?
2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide has a molecular weight of 481.02 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 5086818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).