2-nonylquinolin-4-olate

C18H24NO- — CID 162840210

IUPAC2-nonylquinolin-4-olate
SMILESCCCCCCCCCc1cc([O-])c2ccccc2n1
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,20)/p-1
InChIKeyKKRXDNYRUZGPFM-UHFFFAOYSA-M
MW270.40 g/mol
LogP4.60
Rot. Bonds8

About 2-nonylquinolin-4-olate

2-nonylquinolin-4-olate (PubChem CID 162840210) has the molecular formula C18H24NO- and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-nonylquinolin-4-olate.

Molecular Properties

Compound Name2-nonylquinolin-4-olate
PubChem CID162840210
Molecular FormulaC18H24NO-
Molecular Weight270.40 g/mol
Exact Mass270.19
IUPAC Name2-nonylquinolin-4-olate
SMILESCCCCCCCCCc1cc([O-])c2ccccc2n1
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,20)/p-1
InChIKeyKKRXDNYRUZGPFM-UHFFFAOYSA-M
XLogP4.60
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-hexylquinoline
CID 143260250
2-hexyl-4-methylquinoline
CID 504074
4-chloro-2-decylquinoline
CID 171487257
2-pentylquinolin-4-amine
CID 14082309
2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
4-hexyl-2-methylquinoline
CID 12861362
4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline
CID 174849155
2-octylquinoxaline
CID 141276580
2-tetradecylquinoxaline
CID 21024312
2-chloro-4-pentadecylquinoline
CID 3679887
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine
CID 166383106

Frequently Asked Questions

What is the IUPAC name of 2-nonylquinolin-4-olate?
The IUPAC name of 2-nonylquinolin-4-olate (CID 162840210) is 2-nonylquinolin-4-olate.
What is the SMILES notation for 2-nonylquinolin-4-olate?
The canonical SMILES for 2-nonylquinolin-4-olate is CCCCCCCCCc1cc([O-])c2ccccc2n1.
What is the InChIKey of 2-nonylquinolin-4-olate?
The InChIKey is KKRXDNYRUZGPFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,20)/p-1.
What are the key properties of 2-nonylquinolin-4-olate?
2-nonylquinolin-4-olate has a molecular weight of 270.40 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylquinolin-4-olate is sourced from PubChem (CID 162840210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).