5-(9-bromononoxy)quinoline

C18H24BrNO — CID 103044601

IUPAC5-(9-bromononoxy)quinoline
SMILESBrCCCCCCCCCOc1cccc2ncccc12
InChIInChI=1S/C18H24BrNO/c19-13-6-4-2-1-3-5-7-15-21-18-12-8-11-17-16(18)10-9-14-20-17/h8-12,14H,1-7,13,15H2
InChIKeyDJXRMEWTSLVPBO-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.74
Rot. Bonds10

About 5-(9-bromononoxy)quinoline

5-(9-bromononoxy)quinoline (PubChem CID 103044601) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-(9-bromononoxy)quinoline.

Molecular Properties

Compound Name5-(9-bromononoxy)quinoline
PubChem CID103044601
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name5-(9-bromononoxy)quinoline
SMILESBrCCCCCCCCCOc1cccc2ncccc12
InChIInChI=1S/C18H24BrNO/c19-13-6-4-2-1-3-5-7-15-21-18-12-8-11-17-16(18)10-9-14-20-17/h8-12,14H,1-7,13,15H2
InChIKeyDJXRMEWTSLVPBO-UHFFFAOYSA-N
XLogP5.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
6-quinolin-5-yloxyhexane-1-sulfonamide
CID 103046001
3-(6-bromohexoxy)-2-methylpyridine
CID 145360692
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
2,3-bis(4-bromobutoxy)pyridine
CID 139649131
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211
1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
CID 103046046
4-bromo-N-(2-quinolin-5-yloxyethyl)aniline
CID 103045838
2-quinolin-5-yloxyacetaldehyde
CID 103045247
4-(5-bromopentoxy)quinazoline
CID 163216994
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833

Frequently Asked Questions

What is the IUPAC name of 5-(9-bromononoxy)quinoline?
The IUPAC name of 5-(9-bromononoxy)quinoline (CID 103044601) is 5-(9-bromononoxy)quinoline.
What is the SMILES notation for 5-(9-bromononoxy)quinoline?
The canonical SMILES for 5-(9-bromononoxy)quinoline is BrCCCCCCCCCOc1cccc2ncccc12.
What is the InChIKey of 5-(9-bromononoxy)quinoline?
The InChIKey is DJXRMEWTSLVPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c19-13-6-4-2-1-3-5-7-15-21-18-12-8-11-17-16(18)10-9-14-20-17/h8-12,14H,1-7,13,15H2.
What are the key properties of 5-(9-bromononoxy)quinoline?
5-(9-bromononoxy)quinoline has a molecular weight of 350.30 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-bromononoxy)quinoline is sourced from PubChem (CID 103044601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).