2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid

C23H28N4O7 — CID 22185107

IUPAC2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC(C)(C)C(=O)O)c3ccccc3n2)CC1
InChIInChI=1S/C23H28N4O7/c1-4-33-22(32)27-11-9-26(10-12-27)19(28)14-24-20(29)17-13-18(34-23(2,3)21(30)31)15-7-5-6-8-16(15)25-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,24,29)(H,30,31)
InChIKeyKWELQVYPLKRBQC-UHFFFAOYSA-N
MW472.50 g/mol
LogP1.51
Rot. Bonds7

About 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid

2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid (PubChem CID 22185107) has the molecular formula C23H28N4O7 and a molecular weight of 472.50 g/mol. Its IUPAC name is 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid
PubChem CID22185107
Molecular FormulaC23H28N4O7
Molecular Weight472.50 g/mol
Exact Mass472.20
IUPAC Name2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC(C)(C)C(=O)O)c3ccccc3n2)CC1
InChIInChI=1S/C23H28N4O7/c1-4-33-22(32)27-11-9-26(10-12-27)19(28)14-24-20(29)17-13-18(34-23(2,3)21(30)31)15-7-5-6-8-16(15)25-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,24,29)(H,30,31)
InChIKeyKWELQVYPLKRBQC-UHFFFAOYSA-N
XLogP1.51
TPSA138.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid with MolForge

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Related Compounds

3-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxymethyl]benzoic acid
CID 10414325
N-[2-[4-(tert-butylcarbamoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
CID 22185105
4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide
CID 22184825
ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
CID 46233357
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
butyl 4-[2-[[4-[2-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carbonyl]amino]acetyl]piperazine-1-carboxylate
CID 68601926
ethyl 4-[3-hydroxy-2-[(4-methoxyquinoline-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 22184871
4-[[4-(carboxymethoxy)quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 22017501
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
CID 22184984
4-[[4-(carboxymethylcarbamoyl)quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 22184784
ethyl 4-[2-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
CID 22184855

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid (CID 22185107) is 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid is CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC(C)(C)C(=O)O)c3ccccc3n2)CC1.
What is the InChIKey of 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid?
The InChIKey is KWELQVYPLKRBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O7/c1-4-33-22(32)27-11-9-26(10-12-27)19(28)14-24-20(29)17-13-18(34-23(2,3)21(30)31)15-7-5-6-8-16(15)25-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,24,29)(H,30,31).
What are the key properties of 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid?
2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid has a molecular weight of 472.50 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid is sourced from PubChem (CID 22185107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).