ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate

C22H28N4O5 — CID 22184858

IUPACethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCCOc1cc(C(=O)NCC(=O)N2CCN(C(=O)OCC)CC2)nc2ccccc12
InChIInChI=1S/C22H28N4O5/c1-3-13-31-19-14-18(24-17-8-6-5-7-16(17)19)21(28)23-15-20(27)25-9-11-26(12-10-25)22(29)30-4-2/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,23,28)
InChIKeyOPUVFOPCGHMNDR-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.05
Rot. Bonds7

About ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 22184858) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID22184858
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Nameethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCCOc1cc(C(=O)NCC(=O)N2CCN(C(=O)OCC)CC2)nc2ccccc12
InChIInChI=1S/C22H28N4O5/c1-3-13-31-19-14-18(24-17-8-6-5-7-16(17)19)21(28)23-15-20(27)25-9-11-26(12-10-25)22(29)30-4-2/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,23,28)
InChIKeyOPUVFOPCGHMNDR-UHFFFAOYSA-N
XLogP2.05
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate (CID 22184858) is ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate is CCCOc1cc(C(=O)NCC(=O)N2CCN(C(=O)OCC)CC2)nc2ccccc12.
What is the InChIKey of ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is OPUVFOPCGHMNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-3-13-31-19-14-18(24-17-8-6-5-7-16(17)19)21(28)23-15-20(27)25-9-11-26(12-10-25)22(29)30-4-2/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,23,28).
What are the key properties of ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(4-propoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 22184858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).