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

C26H22N4O4S — CID 163336537

IUPACN-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(c4ccccc4)N23)cc(OC)c1
InChIInChI=1S/C26H22N4O4S/c1-33-18-12-17(13-19(14-18)34-2)27-22(31)15-35-26-28-21-11-7-6-10-20(21)24-29-25(32)23(30(24)26)16-8-4-3-5-9-16/h3-14,23H,15H2,1-2H3,(H,27,31)
InChIKeySIFDQJYHUGZKJV-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.41
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 163336537) has the molecular formula C26H22N4O4S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID163336537
Molecular FormulaC26H22N4O4S
Molecular Weight486.55 g/mol
Exact Mass486.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(c4ccccc4)N23)cc(OC)c1
InChIInChI=1S/C26H22N4O4S/c1-33-18-12-17(13-19(14-18)34-2)27-22(31)15-35-26-28-21-11-7-6-10-20(21)24-29-25(32)23(30(24)26)16-8-4-3-5-9-16/h3-14,23H,15H2,1-2H3,(H,27,31)
InChIKeySIFDQJYHUGZKJV-UHFFFAOYSA-N
XLogP4.41
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163336403
N-(3,5-dimethoxyphenyl)-2-[[(2R)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 41493044
N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163335981
N-[(4-fluorophenyl)methyl]-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163337017
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-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 156611109
N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163336651
N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163336034
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-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337554
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 156611051

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 163336537) is N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is COc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(c4ccccc4)N23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is SIFDQJYHUGZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4S/c1-33-18-12-17(13-19(14-18)34-2)27-22(31)15-35-26-28-21-11-7-6-10-20(21)24-29-25(32)23(30(24)26)16-8-4-3-5-9-16/h3-14,23H,15H2,1-2H3,(H,27,31).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 486.55 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 163336537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).