2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C25H20N4O3 — CID 71242059

IUPAC2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc3c(c2)CCNC3=O)cc2ncccc12
InChIInChI=1S/C25H20N4O3/c26-24(30)20-4-2-9-28-22(20)14-32-23-13-17(12-21-19(23)3-1-8-27-21)15-5-6-18-16(11-15)7-10-29-25(18)31/h1-6,8-9,11-13H,7,10,14H2,(H2,26,30)(H,29,31)
InChIKeyDXZIBTUXSVVHDM-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.26
Rot. Bonds5

About 2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71242059) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71242059
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc3c(c2)CCNC3=O)cc2ncccc12
InChIInChI=1S/C25H20N4O3/c26-24(30)20-4-2-9-28-22(20)14-32-23-13-17(12-21-19(23)3-1-8-27-21)15-5-6-18-16(11-15)7-10-29-25(18)31/h1-6,8-9,11-13H,7,10,14H2,(H2,26,30)(H,29,31)
InChIKeyDXZIBTUXSVVHDM-UHFFFAOYSA-N
XLogP3.26
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71242059) is 2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is NC(=O)c1cccnc1COc1cc(-c2ccc3c(c2)CCNC3=O)cc2ncccc12.
What is the InChIKey of 2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is DXZIBTUXSVVHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c26-24(30)20-4-2-9-28-22(20)14-32-23-13-17(12-21-19(23)3-1-8-27-21)15-5-6-18-16(11-15)7-10-29-25(18)31/h1-6,8-9,11-13H,7,10,14H2,(H2,26,30)(H,29,31).
What are the key properties of 2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71242059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).