1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol

C16H15N3O — CID 106537689

IUPAC1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCCc3cccnc3)c2c1
InChIInChI=1S/C16H15N3O/c20-14-4-3-13-6-9-19-16(15(13)10-14)18-8-5-12-2-1-7-17-11-12/h1-4,6-7,9-11,20H,5,8H2,(H,18,19)
InChIKeyVKMVTIHMKSPOJB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol

1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol (PubChem CID 106537689) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
PubChem CID106537689
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCCc3cccnc3)c2c1
InChIInChI=1S/C16H15N3O/c20-14-4-3-13-6-9-19-16(15(13)10-14)18-8-5-12-2-1-7-17-11-12/h1-4,6-7,9-11,20H,5,8H2,(H,18,19)
InChIKeyVKMVTIHMKSPOJB-UHFFFAOYSA-N
XLogP2.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine
CID 67942240
1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]isoquinolin-7-ol
CID 106538776
1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol
CID 106177647
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
1-(5-methylhexylamino)isoquinolin-7-ol
CID 106539204
N-[2-[(7-hydroxyisoquinolin-1-yl)amino]ethyl]methanesulfonamide
CID 106537595
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
N-(2-pyridin-3-ylethyl)quinolin-4-amine
CID 61339909
1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol
CID 106537754
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol
CID 106537672
7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine
CID 36722460

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol?
The IUPAC name of 1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol (CID 106537689) is 1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol.
What is the SMILES notation for 1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol?
The canonical SMILES for 1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol is Oc1ccc2ccnc(NCCc3cccnc3)c2c1.
What is the InChIKey of 1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol?
The InChIKey is VKMVTIHMKSPOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-14-4-3-13-6-9-19-16(15(13)10-14)18-8-5-12-2-1-7-17-11-12/h1-4,6-7,9-11,20H,5,8H2,(H,18,19).
What are the key properties of 1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol?
1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol has a molecular weight of 265.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol is sourced from PubChem (CID 106537689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).