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

C26H28N4O5 — CID 10480103

IUPACethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OCc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C26H28N4O5/c1-2-34-26(33)30-14-12-29(13-15-30)24(31)17-27-25(32)22-16-23(20-10-6-7-11-21(20)28-22)35-18-19-8-4-3-5-9-19/h3-11,16H,2,12-15,17-18H2,1H3,(H,27,32)
InChIKeyPCNIQWGASUGNKK-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.84
Rot. Bonds7

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

ethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 10480103) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is ethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID10480103
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Nameethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OCc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C26H28N4O5/c1-2-34-26(33)30-14-12-29(13-15-30)24(31)17-27-25(32)22-16-23(20-10-6-7-11-21(20)28-22)35-18-19-8-4-3-5-9-19/h3-11,16H,2,12-15,17-18H2,1H3,(H,27,32)
InChIKeyPCNIQWGASUGNKK-UHFFFAOYSA-N
XLogP2.84
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.84
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-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate (CID 10480103) is ethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OCc3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of ethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is PCNIQWGASUGNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-2-34-26(33)30-14-12-29(13-15-30)24(31)17-27-25(32)22-16-23(20-10-6-7-11-21(20)28-22)35-18-19-8-4-3-5-9-19/h3-11,16H,2,12-15,17-18H2,1H3,(H,27,32).
What are the key properties of ethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[(4-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 476.53 g/mol, XLogP of 2.84, 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-phenylmethoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 10480103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).