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

C21H19ClN4O2S — CID 163337180

IUPACN-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(Cl)cc3)N21
InChIInChI=1S/C21H19ClN4O2S/c1-2-5-17-20(28)25-19-15-6-3-4-7-16(15)24-21(26(17)19)29-12-18(27)23-14-10-8-13(22)9-11-14/h3-4,6-11,17H,2,5,12H2,1H3,(H,23,27)
InChIKeyQSDZCAMODGCVTG-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.47
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 163337180) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID163337180
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC NameN-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(Cl)cc3)N21
InChIInChI=1S/C21H19ClN4O2S/c1-2-5-17-20(28)25-19-15-6-3-4-7-16(15)24-21(26(17)19)29-12-18(27)23-14-10-8-13(22)9-11-14/h3-4,6-11,17H,2,5,12H2,1H3,(H,23,27)
InChIKeyQSDZCAMODGCVTG-UHFFFAOYSA-N
XLogP4.47
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163335981
N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337554
N-(3,4-dimethylphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337404
N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337033
N-butyl-3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 156610961
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-ethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163335899
3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 163337413
N-(4-methylphenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163335941
N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163336034
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-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163337158

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 163337180) is N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is CCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(Cl)cc3)N21.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is QSDZCAMODGCVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-2-5-17-20(28)25-19-15-6-3-4-7-16(15)24-21(26(17)19)29-12-18(27)23-14-10-8-13(22)9-11-14/h3-4,6-11,17H,2,5,12H2,1H3,(H,23,27).
What are the key properties of N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 426.93 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 163337180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).