2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid

C19H22N4O5 — CID 22184988

IUPAC2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(CC(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C19H22N4O5/c1-28-16-10-15(21-14-5-3-2-4-13(14)16)19(27)20-11-17(24)23-8-6-22(7-9-23)12-18(25)26/h2-5,10H,6-9,11-12H2,1H3,(H,20,27)(H,25,26)
InChIKeyOHQRXFPJDMXNIF-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.20
Rot. Bonds6

About 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid

2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid (PubChem CID 22184988) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid
PubChem CID22184988
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(CC(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C19H22N4O5/c1-28-16-10-15(21-14-5-3-2-4-13(14)16)19(27)20-11-17(24)23-8-6-22(7-9-23)12-18(25)26/h2-5,10H,6-9,11-12H2,1H3,(H,20,27)(H,25,26)
InChIKeyOHQRXFPJDMXNIF-UHFFFAOYSA-N
XLogP0.20
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid with MolForge

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Related Compounds

4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide
CID 22184825
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-(4-formyloxybutyl)piperazin-1-yl]-2-oxoethyl]carbamoyl]quinolin-4-yl]oxyacetic acid
CID 174605178
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
4-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]quinoline-2-carboxamide
CID 1263453
3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108763927
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
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 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid (CID 22184988) is 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid is COc1cc(C(=O)NCC(=O)N2CCN(CC(=O)O)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid?
The InChIKey is OHQRXFPJDMXNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-28-16-10-15(21-14-5-3-2-4-13(14)16)19(27)20-11-17(24)23-8-6-22(7-9-23)12-18(25)26/h2-5,10H,6-9,11-12H2,1H3,(H,20,27)(H,25,26).
What are the key properties of 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid?
2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid has a molecular weight of 386.41 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 22184988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).