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

C31H30N6O3S — CID 163337546

IUPACN-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(CC(=O)N4CCN(c5ccccc5)CC4)N23)c1
InChIInChI=1S/C31H30N6O3S/c1-21-8-7-9-22(18-21)32-27(38)20-41-31-33-25-13-6-5-12-24(25)29-34-30(40)26(37(29)31)19-28(39)36-16-14-35(15-17-36)23-10-3-2-4-11-23/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,38)
InChIKeyVFVHVKYYXKWVRH-UHFFFAOYSA-N
MW566.69 g/mol
LogP4.06
Rot. Bonds6

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

N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 163337546) has the molecular formula C31H30N6O3S and a molecular weight of 566.69 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID163337546
Molecular FormulaC31H30N6O3S
Molecular Weight566.69 g/mol
Exact Mass566.21
IUPAC NameN-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(CC(=O)N4CCN(c5ccccc5)CC4)N23)c1
InChIInChI=1S/C31H30N6O3S/c1-21-8-7-9-22(18-21)32-27(38)20-41-31-33-25-13-6-5-12-24(25)29-34-30(40)26(37(29)31)19-28(39)36-16-14-35(15-17-36)23-10-3-2-4-11-23/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,38)
InChIKeyVFVHVKYYXKWVRH-UHFFFAOYSA-N
XLogP4.06
TPSA97.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.69
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163336560
N-(3-methoxyphenyl)-2-[[(2R)-3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 98202931
N-(oxolan-2-ylmethyl)-2-[[2-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163335804
N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 46251217
N-(3-methylphenyl)-2-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 9255116
N-(4-methylphenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163335941
N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163337158
2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46251207
N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163335981
N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163336034
N-cyclohexyl-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163337342
N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337554

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 163337546) is N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is Cc1cccc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(CC(=O)N4CCN(c5ccccc5)CC4)N23)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is VFVHVKYYXKWVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O3S/c1-21-8-7-9-22(18-21)32-27(38)20-41-31-33-25-13-6-5-12-24(25)29-34-30(40)26(37(29)31)19-28(39)36-16-14-35(15-17-36)23-10-3-2-4-11-23/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,38).
What are the key properties of N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 566.69 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[[2-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 163337546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).