1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one

C26H37FN2O3 — CID 70839305

IUPAC1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCC(OCc2nc3ccc(F)cc3c(OCCCC)c2C)CC1
InChIInChI=1S/C26H37FN2O3/c1-4-6-8-9-25(30)29-14-12-21(13-15-29)32-18-24-19(3)26(31-16-7-5-2)22-17-20(27)10-11-23(22)28-24/h10-11,17,21H,4-9,12-16,18H2,1-3H3
InChIKeyWUZHRGSBPLGKMK-UHFFFAOYSA-N
MW444.59 g/mol
LogP5.95
Rot. Bonds11

About 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one

1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one (PubChem CID 70839305) has the molecular formula C26H37FN2O3 and a molecular weight of 444.59 g/mol. Its IUPAC name is 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one
PubChem CID70839305
Molecular FormulaC26H37FN2O3
Molecular Weight444.59 g/mol
Exact Mass444.28
IUPAC Name1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCC(OCc2nc3ccc(F)cc3c(OCCCC)c2C)CC1
InChIInChI=1S/C26H37FN2O3/c1-4-6-8-9-25(30)29-14-12-21(13-15-29)32-18-24-19(3)26(31-16-7-5-2)22-17-20(27)10-11-23(22)28-24/h10-11,17,21H,4-9,12-16,18H2,1-3H3
InChIKeyWUZHRGSBPLGKMK-UHFFFAOYSA-N
XLogP5.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.59
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one with MolForge

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Related Compounds

1-[8-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(oxan-4-yl)ethanone
CID 70839316
2-[(3-bromophenoxy)methyl]-4-butoxy-6-fluoro-3-methylquinoline
CID 70839335
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone
CID 70839407
6-fluoro-4-pentoxyquinoline-2-carboxylic acid
CID 11391767
4-[1-[3-[(4-butoxy-3-methylquinolin-2-yl)methoxy]phenyl]piperidin-4-yl]oxy-2-methylbutan-2-ol
CID 70839437
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
CID 90566283
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-naphthalen-1-yloxybutan-1-one
CID 112836286
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one?
The IUPAC name of 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one (CID 70839305) is 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one?
The canonical SMILES for 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one is CCCCCC(=O)N1CCC(OCc2nc3ccc(F)cc3c(OCCCC)c2C)CC1.
What is the InChIKey of 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one?
The InChIKey is WUZHRGSBPLGKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN2O3/c1-4-6-8-9-25(30)29-14-12-21(13-15-29)32-18-24-19(3)26(31-16-7-5-2)22-17-20(27)10-11-23(22)28-24/h10-11,17,21H,4-9,12-16,18H2,1-3H3.
What are the key properties of 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one?
1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one has a molecular weight of 444.59 g/mol, XLogP of 5.95, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-butoxy-6-fluoro-3-methylquinolin-2-yl)methoxy]piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 70839305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).