2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate

C25H34N2O5 — CID 13107965

IUPAC2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate
SMILESCCCC(=O)OCCN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1
InChIInChI=1S/C25H34N2O5/c1-2-7-25(30)32-17-15-27(20-8-4-3-5-9-20)24(29)10-6-16-31-21-12-13-22-19(18-21)11-14-23(28)26-22/h11-14,18,20H,2-10,15-17H2,1H3,(H,26,28)
InChIKeyQJUKYZAUROKJCB-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.19
Rot. Bonds11

About 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate

2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate (PubChem CID 13107965) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate.

Molecular Properties

Compound Name2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate
PubChem CID13107965
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Name2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate
SMILESCCCC(=O)OCCN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1
InChIInChI=1S/C25H34N2O5/c1-2-7-25(30)32-17-15-27(20-8-4-3-5-9-20)24(29)10-6-16-31-21-12-13-22-19(18-21)11-14-23(28)26-22/h11-14,18,20H,2-10,15-17H2,1H3,(H,26,28)
InChIKeyQJUKYZAUROKJCB-UHFFFAOYSA-N
XLogP4.19
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate?
The IUPAC name of 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate (CID 13107965) is 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate.
What is the SMILES notation for 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate?
The canonical SMILES for 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate is CCCC(=O)OCCN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate?
The InChIKey is QJUKYZAUROKJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-2-7-25(30)32-17-15-27(20-8-4-3-5-9-20)24(29)10-6-16-31-21-12-13-22-19(18-21)11-14-23(28)26-22/h11-14,18,20H,2-10,15-17H2,1H3,(H,26,28).
What are the key properties of 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate?
2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate has a molecular weight of 442.56 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate is sourced from PubChem (CID 13107965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).