2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide

C30H29N5O3S — CID 46369711

IUPAC2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N12)NCCc1ccccc1
InChIInChI=1S/C30H29N5O3S/c36-26(31-17-15-21-9-3-1-4-10-21)19-25-29(38)35-28(33-25)23-13-7-8-14-24(23)34-30(35)39-20-27(37)32-18-16-22-11-5-2-6-12-22/h1-14,25H,15-20H2,(H,31,36)(H,32,37)
InChIKeyXWKOIGDXEQDHEJ-UHFFFAOYSA-N
MW539.66 g/mol
LogP3.49
Rot. Bonds10

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

2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide (PubChem CID 46369711) has the molecular formula C30H29N5O3S and a molecular weight of 539.66 g/mol. Its IUPAC name is 2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide
PubChem CID46369711
Molecular FormulaC30H29N5O3S
Molecular Weight539.66 g/mol
Exact Mass539.20
IUPAC Name2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N12)NCCc1ccccc1
InChIInChI=1S/C30H29N5O3S/c36-26(31-17-15-21-9-3-1-4-10-21)19-25-29(38)35-28(33-25)23-13-7-8-14-24(23)34-30(35)39-20-27(37)32-18-16-22-11-5-2-6-12-22/h1-14,25H,15-20H2,(H,31,36)(H,32,37)
InChIKeyXWKOIGDXEQDHEJ-UHFFFAOYSA-N
XLogP3.49
TPSA103.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.66
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 92725871
2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide
CID 5172270
3-[5-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)propanamide
CID 22589562
(2S)-N-(4-ethylphenyl)-2-[[(2R)-3-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98359220
2-[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46369680
N-benzyl-3-[3-oxo-5-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 46369575
3-[3-oxo-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)propanamide
CID 46369629
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 99660136
N-butyl-2-[(2S)-3-oxo-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 92657551
N-benzyl-3-[5-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 22589544
N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 5130240
N-(1,3-benzodioxol-5-yl)-2-[[3-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 4068864

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide (CID 46369711) is 2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide is O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N12)NCCc1ccccc1.
What is the InChIKey of 2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is XWKOIGDXEQDHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3S/c36-26(31-17-15-21-9-3-1-4-10-21)19-25-29(38)35-28(33-25)23-13-7-8-14-24(23)34-30(35)39-20-27(37)32-18-16-22-11-5-2-6-12-22/h1-14,25H,15-20H2,(H,31,36)(H,32,37).
What are the key properties of 2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide?
2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 539.66 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 46369711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).