N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

C29H25N5O2S — CID 4104352

IUPACN-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4c[nH]c5ccccc45)C(=O)N23)cc1
InChIInChI=1S/C29H25N5O2S/c1-2-18-11-13-20(14-12-18)31-26(35)17-37-29-33-24-10-6-4-8-22(24)27-32-25(28(36)34(27)29)15-19-16-30-23-9-5-3-7-21(19)23/h3-14,16,25,30H,2,15,17H2,1H3,(H,31,35)
InChIKeyHQIQRGMYPCACQE-UHFFFAOYSA-N
MW507.62 g/mol
LogP5.30
Rot. Bonds6

About N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 4104352) has the molecular formula C29H25N5O2S and a molecular weight of 507.62 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID4104352
Molecular FormulaC29H25N5O2S
Molecular Weight507.62 g/mol
Exact Mass507.17
IUPAC NameN-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4c[nH]c5ccccc45)C(=O)N23)cc1
InChIInChI=1S/C29H25N5O2S/c1-2-18-11-13-20(14-12-18)31-26(35)17-37-29-33-24-10-6-4-8-22(24)27-32-25(28(36)34(27)29)15-19-16-30-23-9-5-3-7-21(19)23/h3-14,16,25,30H,2,15,17H2,1H3,(H,31,35)
InChIKeyHQIQRGMYPCACQE-UHFFFAOYSA-N
XLogP5.30
TPSA89.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.62
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 4133275
5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one
CID 4671454
N-cyclohexyl-2-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 5086813
3-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)propanamide
CID 3443272
2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46349446
2-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 4258827
N-benzyl-3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 5019034
3-[(2R)-5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 98354439
2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide
CID 5235872
N-[(4-fluorophenyl)methyl]-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349453
N-(3,5-dimethylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349451
N-(2-ethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965515

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 4104352) is N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is CCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4c[nH]c5ccccc45)C(=O)N23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is HQIQRGMYPCACQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2S/c1-2-18-11-13-20(14-12-18)31-26(35)17-37-29-33-24-10-6-4-8-22(24)27-32-25(28(36)34(27)29)15-19-16-30-23-9-5-3-7-21(19)23/h3-14,16,25,30H,2,15,17H2,1H3,(H,31,35).
What are the key properties of N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 507.62 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 4104352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).