2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone

C22H30N2O3 — CID 70839407

IUPAC2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone
SMILESCCCCOc1c(C)c(COCC(=O)N2CCCCC2)nc2ccccc12
InChIInChI=1S/C22H30N2O3/c1-3-4-14-27-22-17(2)20(23-19-11-7-6-10-18(19)22)15-26-16-21(25)24-12-8-5-9-13-24/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3
InChIKeyYKQBHXKHZBIZRB-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.25
Rot. Bonds8

About 2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone

2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone (PubChem CID 70839407) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone
PubChem CID70839407
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone
SMILESCCCCOc1c(C)c(COCC(=O)N2CCCCC2)nc2ccccc12
InChIInChI=1S/C22H30N2O3/c1-3-4-14-27-22-17(2)20(23-19-11-7-6-10-18(19)22)15-26-16-21(25)24-12-8-5-9-13-24/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3
InChIKeyYKQBHXKHZBIZRB-UHFFFAOYSA-N
XLogP4.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone (CID 70839407) is 2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone is CCCCOc1c(C)c(COCC(=O)N2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone?
The InChIKey is YKQBHXKHZBIZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-3-4-14-27-22-17(2)20(23-19-11-7-6-10-18(19)22)15-26-16-21(25)24-12-8-5-9-13-24/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3.
What are the key properties of 2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone?
2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone has a molecular weight of 370.49 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 70839407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).