4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide

C23H19N3O2 — CID 10339071

IUPAC4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccc(C)cc23)cc1
InChIInChI=1S/C23H19N3O2/c1-15-6-7-17-14-21(20-5-3-4-12-24-20)25-22(19(17)13-15)26-23(27)16-8-10-18(28-2)11-9-16/h3-14H,1-2H3,(H,25,26,27)
InChIKeyYRVCIGPJMKDQQB-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.87
Rot. Bonds4

About 4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide

4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide (PubChem CID 10339071) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide
PubChem CID10339071
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccc(C)cc23)cc1
InChIInChI=1S/C23H19N3O2/c1-15-6-7-17-14-21(20-5-3-4-12-24-20)25-22(19(17)13-15)26-23(27)16-8-10-18(28-2)11-9-16/h3-14H,1-2H3,(H,25,26,27)
InChIKeyYRVCIGPJMKDQQB-UHFFFAOYSA-N
XLogP4.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The IUPAC name of 4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide (CID 10339071) is 4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide is COc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccc(C)cc23)cc1.
What is the InChIKey of 4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The InChIKey is YRVCIGPJMKDQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-6-7-17-14-21(20-5-3-4-12-24-20)25-22(19(17)13-15)26-23(27)16-8-10-18(28-2)11-9-16/h3-14H,1-2H3,(H,25,26,27).
What are the key properties of 4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide?
4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide has a molecular weight of 369.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide is sourced from PubChem (CID 10339071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).