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

C23H24N4O2S — CID 92725871

IUPAC2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccccc3)N2C1=O
InChIInChI=1S/C23H24N4O2S/c1-2-8-19-22(29)27-21(25-19)17-11-6-7-12-18(17)26-23(27)30-15-20(28)24-14-13-16-9-4-3-5-10-16/h3-7,9-12,19H,2,8,13-15H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyCMFCVTMSUCMZOA-LJQANCHMSA-N
MW420.54 g/mol
LogP3.54
Rot. Bonds7

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

2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 92725871) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID92725871
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccccc3)N2C1=O
InChIInChI=1S/C23H24N4O2S/c1-2-8-19-22(29)27-21(25-19)17-11-6-7-12-18(17)26-23(27)30-15-20(28)24-14-13-16-9-4-3-5-10-16/h3-7,9-12,19H,2,8,13-15H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyCMFCVTMSUCMZOA-LJQANCHMSA-N
XLogP3.54
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[5-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)propanamide
CID 22589562
N-[(3-methoxyphenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92725903
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-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
N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92750712
N-(3,5-dimethylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349451
(2S)-N-benzyl-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92725991
2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46349446
(2R)-N-benzyl-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92725992
N-benzyl-3-[5-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 22589544
N-(5-chloro-2-methylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349450

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide (CID 92725871) is 2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide is CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccccc3)N2C1=O.
What is the InChIKey of 2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is CMFCVTMSUCMZOA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-2-8-19-22(29)27-21(25-19)17-11-6-7-12-18(17)26-23(27)30-15-20(28)24-14-13-16-9-4-3-5-10-16/h3-7,9-12,19H,2,8,13-15H2,1H3,(H,24,28)/t19-/m1/s1.
What are the key properties of 2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 420.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 92725871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).