4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol

C23H17N3O2 — CID 122495273

IUPAC4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol
SMILESOc1cnccc1NCc1ccc2cncc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C23H17N3O2/c27-21-14-24-8-7-20(21)26-11-15-5-6-17-12-25-13-19(18(17)9-15)23-10-16-3-1-2-4-22(16)28-23/h1-10,12-14,27H,11H2,(H,24,26)
InChIKeyNOQMGRIZLGLVPY-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.36
Rot. Bonds4

About 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol

4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol (PubChem CID 122495273) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol.

Molecular Properties

Compound Name4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol
PubChem CID122495273
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol
SMILESOc1cnccc1NCc1ccc2cncc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C23H17N3O2/c27-21-14-24-8-7-20(21)26-11-15-5-6-17-12-25-13-19(18(17)9-15)23-10-16-3-1-2-4-22(16)28-23/h1-10,12-14,27H,11H2,(H,24,26)
InChIKeyNOQMGRIZLGLVPY-UHFFFAOYSA-N
XLogP5.36
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol with MolForge

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Related Compounds

N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine
CID 122457792
4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine
CID 122457666
4-(1-benzofuran-2-yl)-6-(piperazin-1-ylmethyl)isoquinoline
CID 122457812
N-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]pyridin-4-amine
CID 122495593
N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine
CID 122457476
[1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-4-yl]carbamic acid
CID 122457727
tert-butyl 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperazine-1-carboxylate
CID 122495133
4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide
CID 122495279
4-(1-benzofuran-2-yl)-6-fluoroisoquinoline;4-(1-benzofuran-2-yl)-6-(pyridin-4-ylmethoxy)isoquinoline;pyridin-4-ylmethanamine
CID 162136739
[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
CID 122457435
N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide
CID 122457544
[4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol
CID 122457505

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol?
The IUPAC name of 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol (CID 122495273) is 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol.
What is the SMILES notation for 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol?
The canonical SMILES for 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol is Oc1cnccc1NCc1ccc2cncc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol?
The InChIKey is NOQMGRIZLGLVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-21-14-24-8-7-20(21)26-11-15-5-6-17-12-25-13-19(18(17)9-15)23-10-16-3-1-2-4-22(16)28-23/h1-10,12-14,27H,11H2,(H,24,26).
What are the key properties of 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol?
4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol has a molecular weight of 367.41 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol is sourced from PubChem (CID 122495273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).