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

C20H24N4O5 — CID 10294407

IUPACethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1
InChIInChI=1S/C20H24N4O5/c1-3-29-20(27)24-10-8-23(9-11-24)18(25)13-21-19(26)16-12-17(28-2)14-6-4-5-7-15(14)22-16/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,26)
InChIKeyNVRXKZUIIZHGKM-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.27
Rot. Bonds5

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

ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 10294407) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID10294407
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Nameethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1
InChIInChI=1S/C20H24N4O5/c1-3-29-20(27)24-10-8-23(9-11-24)18(25)13-21-19(26)16-12-17(28-2)14-6-4-5-7-15(14)22-16/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,26)
InChIKeyNVRXKZUIIZHGKM-UHFFFAOYSA-N
XLogP1.27
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.27
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-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate (CID 10294407) is ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1.
What is the InChIKey of ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is NVRXKZUIIZHGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-3-29-20(27)24-10-8-23(9-11-24)18(25)13-21-19(26)16-12-17(28-2)14-6-4-5-7-15(14)22-16/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,26).
What are the key properties of ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 10294407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).