4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide

C25H26N4O5 — CID 22184970

IUPAC4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(C(=O)COc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C25H26N4O5/c1-33-22-15-21(27-20-10-6-5-9-19(20)22)25(32)26-16-23(30)28-11-13-29(14-12-28)24(31)17-34-18-7-3-2-4-8-18/h2-10,15H,11-14,16-17H2,1H3,(H,26,32)
InChIKeyJGRBFURQOLPSOO-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.72
Rot. Bonds7

About 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide

4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide (PubChem CID 22184970) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide
PubChem CID22184970
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(C(=O)COc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C25H26N4O5/c1-33-22-15-21(27-20-10-6-5-9-19(20)22)25(32)26-16-23(30)28-11-13-29(14-12-28)24(31)17-34-18-7-3-2-4-8-18/h2-10,15H,11-14,16-17H2,1H3,(H,26,32)
InChIKeyJGRBFURQOLPSOO-UHFFFAOYSA-N
XLogP1.72
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide with MolForge

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Related Compounds

2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid
CID 22184988
4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide
CID 22184825
N-[2-[4-(tert-butylcarbamoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
CID 22185105
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
CID 22184984
2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid
CID 22185107
2-[2-[[2-[4-(4-formyloxybutyl)piperazin-1-yl]-2-oxoethyl]carbamoyl]quinolin-4-yl]oxyacetic acid
CID 174605178
3-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxymethyl]benzoic acid
CID 10414325
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide
CID 11417658
3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108763927
ethyl 4-[3-hydroxy-2-[(4-methoxyquinoline-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 22184871
4-methoxy-N-(2-pyridin-2-ylethyl)quinoline-2-carboxamide
CID 54723542

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide (CID 22184970) is 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide is COc1cc(C(=O)NCC(=O)N2CCN(C(=O)COc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide?
The InChIKey is JGRBFURQOLPSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-33-22-15-21(27-20-10-6-5-9-19(20)22)25(32)26-16-23(30)28-11-13-29(14-12-28)24(31)17-34-18-7-3-2-4-8-18/h2-10,15H,11-14,16-17H2,1H3,(H,26,32).
What are the key properties of 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide?
4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 22184970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).