7-(1-hydroxynonyl)quinoline-2-carboxylic acid

C19H25NO3 — CID 54296582

IUPAC7-(1-hydroxynonyl)quinoline-2-carboxylic acid
SMILESCCCCCCCCC(O)c1ccc2ccc(C(=O)O)nc2c1
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-7-8-18(21)15-10-9-14-11-12-16(19(22)23)20-17(14)13-15/h9-13,18,21H,2-8H2,1H3,(H,22,23)
InChIKeySBESZBORLGINLP-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.72
Rot. Bonds9

About 7-(1-hydroxynonyl)quinoline-2-carboxylic acid

7-(1-hydroxynonyl)quinoline-2-carboxylic acid (PubChem CID 54296582) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 7-(1-hydroxynonyl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-(1-hydroxynonyl)quinoline-2-carboxylic acid
PubChem CID54296582
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name7-(1-hydroxynonyl)quinoline-2-carboxylic acid
SMILESCCCCCCCCC(O)c1ccc2ccc(C(=O)O)nc2c1
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-7-8-18(21)15-10-9-14-11-12-16(19(22)23)20-17(14)13-15/h9-13,18,21H,2-8H2,1H3,(H,22,23)
InChIKeySBESZBORLGINLP-UHFFFAOYSA-N
XLogP4.72
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-quinolin-7-ylnonan-1-ol
CID 15658090
3-[2-[7-(1-hydroxynonyl)quinolin-2-yl]ethyl]benzoate
CID 91929216
2-(1-hydroxyhexadecyl)-1,3-thiazole-4-carboxylic acid
CID 123957885
1-[4-(1-hydroxyoctadecyl)phenyl]ethanone
CID 175118558
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(1H-indol-5-yl)heptan-1-ol
CID 81444731
6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61089199
4-(1-hydroxytridecyl)phenol
CID 57120972
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
4-[1-(4-carboxyphenyl)octyl]benzoic acid
CID 22642355
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
5-(1-hydroxyheptyl)furan-2-carboxylic acid
CID 12718415

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxynonyl)quinoline-2-carboxylic acid?
The IUPAC name of 7-(1-hydroxynonyl)quinoline-2-carboxylic acid (CID 54296582) is 7-(1-hydroxynonyl)quinoline-2-carboxylic acid.
What is the SMILES notation for 7-(1-hydroxynonyl)quinoline-2-carboxylic acid?
The canonical SMILES for 7-(1-hydroxynonyl)quinoline-2-carboxylic acid is CCCCCCCCC(O)c1ccc2ccc(C(=O)O)nc2c1.
What is the InChIKey of 7-(1-hydroxynonyl)quinoline-2-carboxylic acid?
The InChIKey is SBESZBORLGINLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-3-4-5-6-7-8-18(21)15-10-9-14-11-12-16(19(22)23)20-17(14)13-15/h9-13,18,21H,2-8H2,1H3,(H,22,23).
What are the key properties of 7-(1-hydroxynonyl)quinoline-2-carboxylic acid?
7-(1-hydroxynonyl)quinoline-2-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxynonyl)quinoline-2-carboxylic acid is sourced from PubChem (CID 54296582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).