(2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one

C27H31N5O3S — CID 92725913

IUPAC(2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCOc1ccccc1N1CCN(C(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N23)CC1
InChIInChI=1S/C27H31N5O3S/c1-18(2)16-21-26(34)32-25(28-21)19-8-4-5-9-20(19)29-27(32)36-17-24(33)31-14-12-30(13-15-31)22-10-6-7-11-23(22)35-3/h4-11,18,21H,12-17H2,1-3H3/t21-/m0/s1
InChIKeyCLRQEKPIQXGUEX-NRFANRHFSA-N
MW505.64 g/mol
LogP3.78
Rot. Bonds6

About (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one

(2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 92725913) has the molecular formula C27H31N5O3S and a molecular weight of 505.64 g/mol. Its IUPAC name is (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name(2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID92725913
Molecular FormulaC27H31N5O3S
Molecular Weight505.64 g/mol
Exact Mass505.21
IUPAC Name(2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCOc1ccccc1N1CCN(C(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N23)CC1
InChIInChI=1S/C27H31N5O3S/c1-18(2)16-21-26(34)32-25(28-21)19-8-4-5-9-20(19)29-27(32)36-17-24(33)31-14-12-30(13-15-31)22-10-6-7-11-23(22)35-3/h4-11,18,21H,12-17H2,1-3H3/t21-/m0/s1
InChIKeyCLRQEKPIQXGUEX-NRFANRHFSA-N
XLogP3.78
TPSA77.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one 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-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 50798608
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
2-benzyl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 5190912
(2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92694440
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9335378
3-[5-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 22589557
2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 3461035
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
2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione
CID 11132806
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propyl-3H-imidazo[1,2-c]quinazolin-2-one
CID 163336008
N-(3,4-dimethoxyphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965549
3-[5-(cyanomethylsulfanyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 4661505

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one (CID 92725913) is (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one is COc1ccccc1N1CCN(C(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N23)CC1.
What is the InChIKey of (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is CLRQEKPIQXGUEX-NRFANRHFSA-N. The full InChI is InChI=1S/C27H31N5O3S/c1-18(2)16-21-26(34)32-25(28-21)19-8-4-5-9-20(19)29-27(32)36-17-24(33)31-14-12-30(13-15-31)22-10-6-7-11-23(22)35-3/h4-11,18,21H,12-17H2,1-3H3/t21-/m0/s1.
What are the key properties of (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one?
(2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 505.64 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 92725913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).