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

C26H28N4O2S — CID 3250002

IUPACN-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESCc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NC4CCCCC4)C(=O)N23)cc1
InChIInChI=1S/C26H28N4O2S/c1-17-11-13-18(14-12-17)16-33-26-29-21-10-6-5-9-20(21)24-28-22(25(32)30(24)26)15-23(31)27-19-7-3-2-4-8-19/h5-6,9-14,19,22H,2-4,7-8,15-16H2,1H3,(H,27,31)
InChIKeyCQYZCULXOJSPOV-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.73
Rot. Bonds5

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

N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (PubChem CID 3250002) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
PubChem CID3250002
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC NameN-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESCc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NC4CCCCC4)C(=O)N23)cc1
InChIInChI=1S/C26H28N4O2S/c1-17-11-13-18(14-12-17)16-33-26-29-21-10-6-5-9-20(21)24-28-22(25(32)30(24)26)15-23(31)27-19-7-3-2-4-8-19/h5-6,9-14,19,22H,2-4,7-8,15-16H2,1H3,(H,27,31)
InChIKeyCQYZCULXOJSPOV-UHFFFAOYSA-N
XLogP4.73
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.73
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-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-[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
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-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 3432957

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (CID 3250002) is N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NC4CCCCC4)C(=O)N23)cc1.
What is the InChIKey of N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The InChIKey is CQYZCULXOJSPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-17-11-13-18(14-12-17)16-33-26-29-21-10-6-5-9-20(21)24-28-22(25(32)30(24)26)15-23(31)27-19-7-3-2-4-8-19/h5-6,9-14,19,22H,2-4,7-8,15-16H2,1H3,(H,27,31).
What are the key properties of N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide has a molecular weight of 460.60 g/mol, XLogP of 4.73, 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-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is sourced from PubChem (CID 3250002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).