1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one

C47H30N6O2 — CID 155170948

IUPAC1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one
SMILESCn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3cccc(-c4cc5cc(-c6cc7c(=O)cc[nH]c7nc6-c6ccccc6)ccc5cn4)c3)nc21
InChIInChI=1S/C47H30N6O2/c1-53-20-17-43(55)39-26-37(30-14-15-40-31(21-30)11-6-18-48-40)45(52-47(39)53)33-10-5-9-32(23-33)41-24-35-22-29(12-13-34(35)27-50-41)36-25-38-42(54)16-19-49-46(38)51-44(36)28-7-3-2-4-8-28/h2-27H,1H3,(H,49,51,54)
InChIKeyWZCCLDGDHNMAMF-UHFFFAOYSA-N
MW710.80 g/mol
LogP9.60
Rot. Bonds5

About 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one

1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one (PubChem CID 155170948) has the molecular formula C47H30N6O2 and a molecular weight of 710.80 g/mol. Its IUPAC name is 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one
PubChem CID155170948
Molecular FormulaC47H30N6O2
Molecular Weight710.80 g/mol
Exact Mass710.24
IUPAC Name1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one
SMILESCn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3cccc(-c4cc5cc(-c6cc7c(=O)cc[nH]c7nc6-c6ccccc6)ccc5cn4)c3)nc21
InChIInChI=1S/C47H30N6O2/c1-53-20-17-43(55)39-26-37(30-14-15-40-31(21-30)11-6-18-48-40)45(52-47(39)53)33-10-5-9-32(23-33)41-24-35-22-29(12-13-34(35)27-50-41)36-25-38-42(54)16-19-49-46(38)51-44(36)28-7-3-2-4-8-28/h2-27H,1H3,(H,49,51,54)
InChIKeyWZCCLDGDHNMAMF-UHFFFAOYSA-N
XLogP9.60
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.80
LogP ≤ 59.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one?
The IUPAC name of 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one (CID 155170948) is 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one is Cn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3cccc(-c4cc5cc(-c6cc7c(=O)cc[nH]c7nc6-c6ccccc6)ccc5cn4)c3)nc21.
What is the InChIKey of 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one?
The InChIKey is WZCCLDGDHNMAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N6O2/c1-53-20-17-43(55)39-26-37(30-14-15-40-31(21-30)11-6-18-48-40)45(52-47(39)53)33-10-5-9-32(23-33)41-24-35-22-29(12-13-34(35)27-50-41)36-25-38-42(54)16-19-49-46(38)51-44(36)28-7-3-2-4-8-28/h2-27H,1H3,(H,49,51,54).
What are the key properties of 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one?
1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one has a molecular weight of 710.80 g/mol, XLogP of 9.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)isoquinolin-3-yl]phenyl]-6-quinolin-6-yl-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).