N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

C25H26N4O2S — CID 4685148

IUPACN-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSC1=Nc2ccccc2C2=NC(c3ccccc3)C(=O)N12)C1CCCCC1
InChIInChI=1S/C25H26N4O2S/c1-28(18-12-6-3-7-13-18)21(30)16-32-25-26-20-15-9-8-14-19(20)23-27-22(24(31)29(23)25)17-10-4-2-5-11-17/h2,4-5,8-11,14-15,18,22H,3,6-7,12-13,16H2,1H3
InChIKeyIOZDANKKISHPMB-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.54
Rot. Bonds4

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

N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 4685148) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID4685148
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC NameN-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSC1=Nc2ccccc2C2=NC(c3ccccc3)C(=O)N12)C1CCCCC1
InChIInChI=1S/C25H26N4O2S/c1-28(18-12-6-3-7-13-18)21(30)16-32-25-26-20-15-9-8-14-19(20)23-27-22(24(31)29(23)25)17-10-4-2-5-11-17/h2,4-5,8-11,14-15,18,22H,3,6-7,12-13,16H2,1H3
InChIKeyIOZDANKKISHPMB-UHFFFAOYSA-N
XLogP4.54
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-3-one
CID 3243827
[(2-Isopropyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]acetonitrile
CID 3244416
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-benzyl-3-[5-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 5061195
3-(5-{[(4-methylphenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 5067161

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 4685148) is N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is CN(C(=O)CSC1=Nc2ccccc2C2=NC(c3ccccc3)C(=O)N12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is IOZDANKKISHPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-28(18-12-6-3-7-13-18)21(30)16-32-25-26-20-15-9-8-14-19(20)23-27-22(24(31)29(23)25)17-10-4-2-5-11-17/h2,4-5,8-11,14-15,18,22H,3,6-7,12-13,16H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 446.58 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 4685148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).