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

C22H28N4O4 — CID 22184825

IUPAC4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide
SMILESCCCCC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1
InChIInChI=1S/C22H28N4O4/c1-3-4-9-20(27)25-10-12-26(13-11-25)21(28)15-23-22(29)18-14-19(30-2)16-7-5-6-8-17(16)24-18/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,23,29)
InChIKeyNUKUMKODXBWBDB-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.83
Rot. Bonds7

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

4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide (PubChem CID 22184825) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide
PubChem CID22184825
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide
SMILESCCCCC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1
InChIInChI=1S/C22H28N4O4/c1-3-4-9-20(27)25-10-12-26(13-11-25)21(28)15-23-22(29)18-14-19(30-2)16-7-5-6-8-17(16)24-18/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,23,29)
InChIKeyNUKUMKODXBWBDB-UHFFFAOYSA-N
XLogP1.83
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide
CID 22184970
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
3-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxymethyl]benzoic acid
CID 10414325
3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108763927
2-[2-[[2-[4-(4-formyloxybutyl)piperazin-1-yl]-2-oxoethyl]carbamoyl]quinolin-4-yl]oxyacetic acid
CID 174605178
ethyl 4-[3-hydroxy-2-[(4-methoxyquinoline-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 22184871
butyl 4-[2-[[4-[2-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carbonyl]amino]acetyl]piperazine-1-carboxylate
CID 68601926
3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 58710167
methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate
CID 22184808

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide (CID 22184825) is 4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide is CCCCC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1.
What is the InChIKey of 4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is NUKUMKODXBWBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-3-4-9-20(27)25-10-12-26(13-11-25)21(28)15-23-22(29)18-14-19(30-2)16-7-5-6-8-17(16)24-18/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,23,29).
What are the key properties of 4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide?
4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 22184825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).