6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol

C22H26N2O2 — CID 123317824

IUPAC6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol
SMILESCOc1ccc(-c2cc(C(O)CCCCCN)c3ccccc3n2)cc1
InChIInChI=1S/C22H26N2O2/c1-26-17-12-10-16(11-13-17)21-15-19(22(25)9-3-2-6-14-23)18-7-4-5-8-20(18)24-21/h4-5,7-8,10-13,15,22,25H,2-3,6,9,14,23H2,1H3
InChIKeyMEXWYJGXNUOHKP-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.46
Rot. Bonds8

About 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol

6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol (PubChem CID 123317824) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol.

Molecular Properties

Compound Name6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol
PubChem CID123317824
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol
SMILESCOc1ccc(-c2cc(C(O)CCCCCN)c3ccccc3n2)cc1
InChIInChI=1S/C22H26N2O2/c1-26-17-12-10-16(11-13-17)21-15-19(22(25)9-3-2-6-14-23)18-7-4-5-8-20(18)24-21/h4-5,7-8,10-13,15,22,25H,2-3,6,9,14,23H2,1H3
InChIKeyMEXWYJGXNUOHKP-UHFFFAOYSA-N
XLogP4.46
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol?
The IUPAC name of 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol (CID 123317824) is 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol.
What is the SMILES notation for 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol?
The canonical SMILES for 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol is COc1ccc(-c2cc(C(O)CCCCCN)c3ccccc3n2)cc1.
What is the InChIKey of 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol?
The InChIKey is MEXWYJGXNUOHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-17-12-10-16(11-13-17)21-15-19(22(25)9-3-2-6-14-23)18-7-4-5-8-20(18)24-21/h4-5,7-8,10-13,15,22,25H,2-3,6,9,14,23H2,1H3.
What are the key properties of 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol?
6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol has a molecular weight of 350.46 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol is sourced from PubChem (CID 123317824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).