4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid

C16H20N2O3 — CID 107853405

IUPAC4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCCCCCCO
InChIInChI=1S/C16H20N2O3/c19-10-6-2-1-5-9-17-15-12-7-3-4-8-14(12)18-11-13(15)16(20)21/h3-4,7-8,11,19H,1-2,5-6,9-10H2,(H,17,18)(H,20,21)
InChIKeyKKBIPMZJEVVGEJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.90
Rot. Bonds8

About 4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid

4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid (PubChem CID 107853405) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
PubChem CID107853405
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCCCCCCO
InChIInChI=1S/C16H20N2O3/c19-10-6-2-1-5-9-17-15-12-7-3-4-8-14(12)18-11-13(15)16(20)21/h3-4,7-8,11,19H,1-2,5-6,9-10H2,(H,17,18)(H,20,21)
InChIKeyKKBIPMZJEVVGEJ-UHFFFAOYSA-N
XLogP2.90
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
CID 106400814
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61340797
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406
1-[4-(3-aminopropylamino)quinolin-3-yl]-2,2,2-trifluoroethanone;hydrochloride
CID 73424883

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid (CID 107853405) is 4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1NCCCCCCO.
What is the InChIKey of 4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid?
The InChIKey is KKBIPMZJEVVGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-10-6-2-1-5-9-17-15-12-7-3-4-8-14(12)18-11-13(15)16(20)21/h3-4,7-8,11,19H,1-2,5-6,9-10H2,(H,17,18)(H,20,21).
What are the key properties of 4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid?
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 107853405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).