2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol

C19H26N4O — CID 53326308

IUPAC2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol
SMILESNCCCCN(Cc1ncccc1O)C1CCCc2cccnc21
InChIInChI=1S/C19H26N4O/c20-10-1-2-13-23(14-16-18(24)9-5-11-21-16)17-8-3-6-15-7-4-12-22-19(15)17/h4-5,7,9,11-12,17,24H,1-3,6,8,10,13-14,20H2
InChIKeyGERGOAXTCRQJLH-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.80
Rot. Bonds7

About 2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol

2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol (PubChem CID 53326308) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol
PubChem CID53326308
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol
SMILESNCCCCN(Cc1ncccc1O)C1CCCc2cccnc21
InChIInChI=1S/C19H26N4O/c20-10-1-2-13-23(14-16-18(24)9-5-11-21-16)17-8-3-6-15-7-4-12-22-19(15)17/h4-5,7,9,11-12,17,24H,1-3,6,8,10,13-14,20H2
InChIKeyGERGOAXTCRQJLH-UHFFFAOYSA-N
XLogP2.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol?
The IUPAC name of 2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol (CID 53326308) is 2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol is NCCCCN(Cc1ncccc1O)C1CCCc2cccnc21.
What is the InChIKey of 2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol?
The InChIKey is GERGOAXTCRQJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c20-10-1-2-13-23(14-16-18(24)9-5-11-21-16)17-8-3-6-15-7-4-12-22-19(15)17/h4-5,7,9,11-12,17,24H,1-3,6,8,10,13-14,20H2.
What are the key properties of 2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol?
2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol has a molecular weight of 326.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 53326308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).