5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol

C36H39N5O3 — CID 168882848

IUPAC5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol
SMILESCC.CC(C)c1ncc(-c2cc(N)c3ccccc3n2)cc1O.CC(C)c1ncc(-c2cnc3cccc(O)c3c2)cc1O
InChIInChI=1S/C17H17N3O.C17H16N2O2.C2H6/c1-10(2)17-16(21)7-11(9-19-17)15-8-13(18)12-5-3-4-6-14(12)20-15;1-10(2)17-16(21)7-12(9-19-17)11-6-13-14(18-8-11)4-3-5-15(13)20;1-2/h3-10,21H,1-2H3,(H2,18,20);3-10,20-21H,1-2H3;1-2H3
InChIKeyWLZDMWFSLPRHMH-UHFFFAOYSA-N
MW589.74 g/mol
LogP8.57
Rot. Bonds4

About 5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol

5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol (PubChem CID 168882848) has the molecular formula C36H39N5O3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol.

Molecular Properties

Compound Name5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol
PubChem CID168882848
Molecular FormulaC36H39N5O3
Molecular Weight589.74 g/mol
Exact Mass589.31
IUPAC Name5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol
SMILESCC.CC(C)c1ncc(-c2cc(N)c3ccccc3n2)cc1O.CC(C)c1ncc(-c2cnc3cccc(O)c3c2)cc1O
InChIInChI=1S/C17H17N3O.C17H16N2O2.C2H6/c1-10(2)17-16(21)7-11(9-19-17)15-8-13(18)12-5-3-4-6-14(12)20-15;1-10(2)17-16(21)7-12(9-19-17)11-6-13-14(18-8-11)4-3-5-15(13)20;1-2/h3-10,21H,1-2H3,(H2,18,20);3-10,20-21H,1-2H3;1-2H3
InChIKeyWLZDMWFSLPRHMH-UHFFFAOYSA-N
XLogP8.57
TPSA138.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 58.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

2-phenylquinolin-4-amine;hydrochloride
CID 134690731
2-phenylquinolin-4-amine;hydrate
CID 51057793
2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine
CID 91231622
5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol
CID 168882947
2-(4-butoxyphenyl)quinolin-4-amine
CID 95493431
5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol
CID 168882801
2-methylquinolin-4-amine
CID 162035180
3-phenylquinoline-5-carboxamide
CID 19033241
2-phenyl-1,7-naphthyridin-4-amine
CID 11470076
1-(3-aminoquinolin-4-yl)ethanol
CID 118547425
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
2-phenyl-6-phenylmethoxyquinolin-4-amine
CID 113232549

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol?
The IUPAC name of 5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol (CID 168882848) is 5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol.
What is the SMILES notation for 5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol?
The canonical SMILES for 5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol is CC.CC(C)c1ncc(-c2cc(N)c3ccccc3n2)cc1O.CC(C)c1ncc(-c2cnc3cccc(O)c3c2)cc1O.
What is the InChIKey of 5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol?
The InChIKey is WLZDMWFSLPRHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O.C17H16N2O2.C2H6/c1-10(2)17-16(21)7-11(9-19-17)15-8-13(18)12-5-3-4-6-14(12)20-15;1-10(2)17-16(21)7-12(9-19-17)11-6-13-14(18-8-11)4-3-5-15(13)20;1-2/h3-10,21H,1-2H3,(H2,18,20);3-10,20-21H,1-2H3;1-2H3.
What are the key properties of 5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol?
5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol has a molecular weight of 589.74 g/mol, XLogP of 8.57, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol is sourced from PubChem (CID 168882848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).