N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

C23H23ClN4O3S — CID 163336034

IUPACN-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(CC(C)C)N23)cc1Cl
InChIInChI=1S/C23H23ClN4O3S/c1-13(2)10-18-22(30)27-21-15-6-4-5-7-17(15)26-23(28(18)21)32-12-20(29)25-14-8-9-19(31-3)16(24)11-14/h4-9,11,13,18H,10,12H2,1-3H3,(H,25,29)
InChIKeyVZKGVIMCIQDQPW-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.73
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 163336034) has the molecular formula C23H23ClN4O3S and a molecular weight of 470.98 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID163336034
Molecular FormulaC23H23ClN4O3S
Molecular Weight470.98 g/mol
Exact Mass470.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(CC(C)C)N23)cc1Cl
InChIInChI=1S/C23H23ClN4O3S/c1-13(2)10-18-22(30)27-21-15-6-4-5-7-17(15)26-23(28(18)21)32-12-20(29)25-14-8-9-19(31-3)16(24)11-14/h4-9,11,13,18H,10,12H2,1-3H3,(H,25,29)
InChIKeyVZKGVIMCIQDQPW-UHFFFAOYSA-N
XLogP4.73
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163337158
3-[5-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-cyclohexylpropanamide
CID 163336655
N-(4-ethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163335899
N-(3,4-dimethylphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337404
N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163335981
N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337180
2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 163336785
N-(4-methylphenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163335941
N-(3,4-dimethoxyphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965549
N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337554
N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163336537
N-cyclohexyl-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163337342

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 163336034) is N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(CC(C)C)N23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is VZKGVIMCIQDQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S/c1-13(2)10-18-22(30)27-21-15-6-4-5-7-17(15)26-23(28(18)21)32-12-20(29)25-14-8-9-19(31-3)16(24)11-14/h4-9,11,13,18H,10,12H2,1-3H3,(H,25,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 470.98 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 163336034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).