8-quinolin-2-yloxyoctanal

C17H21NO2 — CID 19898648

IUPAC8-quinolin-2-yloxyoctanal
SMILESO=CCCCCCCCOc1ccc2ccccc2n1
InChIInChI=1S/C17H21NO2/c19-13-7-3-1-2-4-8-14-20-17-12-11-15-9-5-6-10-16(15)18-17/h5-6,9-13H,1-4,7-8,14H2
InChIKeyCIOWDMAMVHKWOD-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.15
Rot. Bonds9

About 8-quinolin-2-yloxyoctanal

8-quinolin-2-yloxyoctanal (PubChem CID 19898648) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 8-quinolin-2-yloxyoctanal.

Molecular Properties

Compound Name8-quinolin-2-yloxyoctanal
PubChem CID19898648
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name8-quinolin-2-yloxyoctanal
SMILESO=CCCCCCCCOc1ccc2ccccc2n1
InChIInChI=1S/C17H21NO2/c19-13-7-3-1-2-4-8-14-20-17-12-11-15-9-5-6-10-16(15)18-17/h5-6,9-13H,1-4,7-8,14H2
InChIKeyCIOWDMAMVHKWOD-UHFFFAOYSA-N
XLogP4.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-quinolin-2-yloxyundecan-2-one
CID 19898708
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
13-quinolin-2-yltridecanal
CID 87258856
3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 57001868
2-quinolin-2-yloxyethanamine
CID 62348403
2-quinolin-2-yloxyethanol
CID 19898678
(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
2-pentoxyquinoline;1H-quinazolin-2-one
CID 174765854
N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienethioamide
CID 54155202

Frequently Asked Questions

What is the IUPAC name of 8-quinolin-2-yloxyoctanal?
The IUPAC name of 8-quinolin-2-yloxyoctanal (CID 19898648) is 8-quinolin-2-yloxyoctanal.
What is the SMILES notation for 8-quinolin-2-yloxyoctanal?
The canonical SMILES for 8-quinolin-2-yloxyoctanal is O=CCCCCCCCOc1ccc2ccccc2n1.
What is the InChIKey of 8-quinolin-2-yloxyoctanal?
The InChIKey is CIOWDMAMVHKWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-13-7-3-1-2-4-8-14-20-17-12-11-15-9-5-6-10-16(15)18-17/h5-6,9-13H,1-4,7-8,14H2.
What are the key properties of 8-quinolin-2-yloxyoctanal?
8-quinolin-2-yloxyoctanal has a molecular weight of 271.36 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-quinolin-2-yloxyoctanal is sourced from PubChem (CID 19898648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).