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

C29H32N6O4S — CID 163336560

IUPACN-(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
SMILESO=C(CSC1=Nc2ccccc2C2=NC(=O)C(CC(=O)N3CCN(c4ccccc4)CC3)N12)NCC1CCCO1
InChIInChI=1S/C29H32N6O4S/c36-25(30-18-21-9-6-16-39-21)19-40-29-31-23-11-5-4-10-22(23)27-32-28(38)24(35(27)29)17-26(37)34-14-12-33(13-15-34)20-7-2-1-3-8-20/h1-5,7-8,10-11,21,24H,6,9,12-19H2,(H,30,36)
InChIKeyISOJYEQILGCVBO-UHFFFAOYSA-N
MW560.68 g/mol
LogP2.41
Rot. Bonds7

About 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

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 (PubChem CID 163336560) has the molecular formula C29H32N6O4S and a molecular weight of 560.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID163336560
Molecular FormulaC29H32N6O4S
Molecular Weight560.68 g/mol
Exact Mass560.22
IUPAC NameN-(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
SMILESO=C(CSC1=Nc2ccccc2C2=NC(=O)C(CC(=O)N3CCN(c4ccccc4)CC3)N12)NCC1CCCO1
InChIInChI=1S/C29H32N6O4S/c36-25(30-18-21-9-6-16-39-21)19-40-29-31-23-11-5-4-10-22(23)27-32-28(38)24(35(27)29)17-26(37)34-14-12-33(13-15-34)20-7-2-1-3-8-20/h1-5,7-8,10-11,21,24H,6,9,12-19H2,(H,30,36)
InChIKeyISOJYEQILGCVBO-UHFFFAOYSA-N
XLogP2.41
TPSA106.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-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
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
N-benzyl-2-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163335867
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-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943652

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CSC1=Nc2ccccc2C2=NC(=O)C(CC(=O)N3CCN(c4ccccc4)CC3)N12)NCC1CCCO1.
What is the InChIKey of 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?
The InChIKey is ISOJYEQILGCVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4S/c36-25(30-18-21-9-6-16-39-21)19-40-29-31-23-11-5-4-10-22(23)27-32-28(38)24(35(27)29)17-26(37)34-14-12-33(13-15-34)20-7-2-1-3-8-20/h1-5,7-8,10-11,21,24H,6,9,12-19H2,(H,30,36).
What are the key properties of 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?
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 has a molecular weight of 560.68 g/mol, XLogP of 2.41, 7 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-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 163336560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).