2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol

C22H21N3O2 — CID 2831980

IUPAC2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
SMILESCCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1
InChIInChI=1S/C22H21N3O2/c1-2-3-14-25(19-12-10-15-6-4-8-17(26)21(15)23-19)20-13-11-16-7-5-9-18(27)22(16)24-20/h4-13,26-27H,2-3,14H2,1H3
InChIKeyAWKZSNHJRJMXCN-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.13
Rot. Bonds5

About 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol

2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol (PubChem CID 2831980) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol.

Molecular Properties

Compound Name2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
PubChem CID2831980
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
SMILESCCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1
InChIInChI=1S/C22H21N3O2/c1-2-3-14-25(19-12-10-15-6-4-8-17(26)21(15)23-19)20-13-11-16-7-5-9-18(27)22(16)24-20/h4-13,26-27H,2-3,14H2,1H3
InChIKeyAWKZSNHJRJMXCN-UHFFFAOYSA-N
XLogP5.13
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol?
The IUPAC name of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol (CID 2831980) is 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol.
What is the SMILES notation for 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol?
The canonical SMILES for 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol is CCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.
What is the InChIKey of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol?
The InChIKey is AWKZSNHJRJMXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-3-14-25(19-12-10-15-6-4-8-17(26)21(15)23-19)20-13-11-16-7-5-9-18(27)22(16)24-20/h4-13,26-27H,2-3,14H2,1H3.
What are the key properties of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol?
2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol has a molecular weight of 359.43 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol is sourced from PubChem (CID 2831980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).