11-quinolin-2-yloxyundecan-2-one

C20H27NO2 — CID 19898708

IUPAC11-quinolin-2-yloxyundecan-2-one
SMILESCC(=O)CCCCCCCCCOc1ccc2ccccc2n1
InChIInChI=1S/C20H27NO2/c1-17(22)11-7-5-3-2-4-6-10-16-23-20-15-14-18-12-8-9-13-19(18)21-20/h8-9,12-15H,2-7,10-11,16H2,1H3
InChIKeyLHJXMASFNWQXBA-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.32
Rot. Bonds11

About 11-quinolin-2-yloxyundecan-2-one

11-quinolin-2-yloxyundecan-2-one (PubChem CID 19898708) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 11-quinolin-2-yloxyundecan-2-one.

Molecular Properties

Compound Name11-quinolin-2-yloxyundecan-2-one
PubChem CID19898708
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name11-quinolin-2-yloxyundecan-2-one
SMILESCC(=O)CCCCCCCCCOc1ccc2ccccc2n1
InChIInChI=1S/C20H27NO2/c1-17(22)11-7-5-3-2-4-6-10-16-23-20-15-14-18-12-8-9-13-19(18)21-20/h8-9,12-15H,2-7,10-11,16H2,1H3
InChIKeyLHJXMASFNWQXBA-UHFFFAOYSA-N
XLogP5.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-quinolin-2-yloxyoctanal
CID 19898648
2-quinolin-2-yloxyethanol
CID 19898678
3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 57001868
2-quinolin-2-yloxyethanamine
CID 62348403
methyl (2Z,4Z)-2,4-difluoro-12-quinolin-2-yloxydodeca-2,4-dienoate
CID 86745843
(Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol
CID 67804160
2-[2-(2-quinolin-2-yloxyethoxy)ethoxy]ethanol
CID 142628371
6-[10-(5-oxohexoxy)anthracen-9-yl]oxyhexan-2-one
CID 172550093
2-pentoxyquinoline;1H-quinazolin-2-one
CID 174765854
(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 19898632
(2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 22843999
2,4-difluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 54230906

Frequently Asked Questions

What is the IUPAC name of 11-quinolin-2-yloxyundecan-2-one?
The IUPAC name of 11-quinolin-2-yloxyundecan-2-one (CID 19898708) is 11-quinolin-2-yloxyundecan-2-one.
What is the SMILES notation for 11-quinolin-2-yloxyundecan-2-one?
The canonical SMILES for 11-quinolin-2-yloxyundecan-2-one is CC(=O)CCCCCCCCCOc1ccc2ccccc2n1.
What is the InChIKey of 11-quinolin-2-yloxyundecan-2-one?
The InChIKey is LHJXMASFNWQXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-17(22)11-7-5-3-2-4-6-10-16-23-20-15-14-18-12-8-9-13-19(18)21-20/h8-9,12-15H,2-7,10-11,16H2,1H3.
What are the key properties of 11-quinolin-2-yloxyundecan-2-one?
11-quinolin-2-yloxyundecan-2-one has a molecular weight of 313.44 g/mol, XLogP of 5.32, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-quinolin-2-yloxyundecan-2-one is sourced from PubChem (CID 19898708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).