nonanoic acid;quinoline

C18H25NO2 — CID 173189008

IUPACnonanoic acid;quinoline
SMILESCCCCCCCCC(=O)O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C9H18O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-4-5-6-7-8-9(10)11/h1-7H;2-8H2,1H3,(H,10,11)
InChIKeyZGUAQKHIJGMNCQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP5.06
Rot. Bonds7

About nonanoic acid;quinoline

nonanoic acid;quinoline (PubChem CID 173189008) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is nonanoic acid;quinoline.

Molecular Properties

Compound Namenonanoic acid;quinoline
PubChem CID173189008
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Namenonanoic acid;quinoline
SMILESCCCCCCCCC(=O)O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C9H18O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-4-5-6-7-8-9(10)11/h1-7H;2-8H2,1H3,(H,10,11)
InChIKeyZGUAQKHIJGMNCQ-UHFFFAOYSA-N
XLogP5.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze nonanoic acid;quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;quinoline
CID 173188953
carbonic acid;quinoline
CID 23206844
bis(nonanoic acid);pyrimidin-2-amine
CID 139195998
propan-1-ol;quinoline
CID 160910097
benzene;hexadecanoic acid
CID 162199490
benzene;decanoic acid
CID 159351150
decanoic acid;pyrene
CID 87535233
pyrene;tetradecanoic acid
CID 161467828
1-phenylpropan-1-one;quinoline
CID 174570718
ethyl butanoate;quinoline
CID 174829531
CID 174778702
CID 174778702
octanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine
CID 139036969

Frequently Asked Questions

What is the IUPAC name of nonanoic acid;quinoline?
The IUPAC name of nonanoic acid;quinoline (CID 173189008) is nonanoic acid;quinoline.
What is the SMILES notation for nonanoic acid;quinoline?
The canonical SMILES for nonanoic acid;quinoline is CCCCCCCCC(=O)O.c1ccc2ncccc2c1.
What is the InChIKey of nonanoic acid;quinoline?
The InChIKey is ZGUAQKHIJGMNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C9H18O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-4-5-6-7-8-9(10)11/h1-7H;2-8H2,1H3,(H,10,11).
What are the key properties of nonanoic acid;quinoline?
nonanoic acid;quinoline has a molecular weight of 287.40 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonanoic acid;quinoline is sourced from PubChem (CID 173189008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).