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

C30H34N6O4S — CID 163335804

IUPACN-(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
SMILESO=C(CSC1=Nc2ccccc2C2=NC(=O)C(CCC(=O)N3CCN(c4ccccc4)CC3)N12)NCC1CCCO1
InChIInChI=1S/C30H34N6O4S/c37-26(31-19-22-9-6-18-40-22)20-41-30-32-24-11-5-4-10-23(24)28-33-29(39)25(36(28)30)12-13-27(38)35-16-14-34(15-17-35)21-7-2-1-3-8-21/h1-5,7-8,10-11,22,25H,6,9,12-20H2,(H,31,37)
InChIKeySTSYPDMTEBLECI-UHFFFAOYSA-N
MW574.71 g/mol
LogP2.80
Rot. Bonds8

About 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

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 (PubChem CID 163335804) has the molecular formula C30H34N6O4S and a molecular weight of 574.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID163335804
Molecular FormulaC30H34N6O4S
Molecular Weight574.71 g/mol
Exact Mass574.24
IUPAC NameN-(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
SMILESO=C(CSC1=Nc2ccccc2C2=NC(=O)C(CCC(=O)N3CCN(c4ccccc4)CC3)N12)NCC1CCCO1
InChIInChI=1S/C30H34N6O4S/c37-26(31-19-22-9-6-18-40-22)20-41-30-32-24-11-5-4-10-23(24)28-33-29(39)25(36(28)30)12-13-27(38)35-16-14-34(15-17-35)21-7-2-1-3-8-21/h1-5,7-8,10-11,22,25H,6,9,12-20H2,(H,31,37)
InChIKeySTSYPDMTEBLECI-UHFFFAOYSA-N
XLogP2.80
TPSA106.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.71
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163337566
2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide
CID 156610968
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
N-benzyl-3-[3-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 22589545
N-[(4-fluorophenyl)methyl]-3-[(2S)-3-oxo-5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 93473778
N-[(4-fluorophenyl)methyl]-3-[3-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 22589549
N-benzyl-3-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 163337016
N-butyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide
CID 163335729
2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 108507662
N-(furan-2-ylmethyl)-2-[[(2S)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 98203004
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 3248343

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CSC1=Nc2ccccc2C2=NC(=O)C(CCC(=O)N3CCN(c4ccccc4)CC3)N12)NCC1CCCO1.
What is the InChIKey of 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?
The InChIKey is STSYPDMTEBLECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O4S/c37-26(31-19-22-9-6-18-40-22)20-41-30-32-24-11-5-4-10-23(24)28-33-29(39)25(36(28)30)12-13-27(38)35-16-14-34(15-17-35)21-7-2-1-3-8-21/h1-5,7-8,10-11,22,25H,6,9,12-20H2,(H,31,37).
What are the key properties of 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?
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 has a molecular weight of 574.71 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163335804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).