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

C48H32N6O2 — CID 155170905

IUPAC5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3cccc(-c4cnc5ccc(-c6c(-c7ccccc7)nc7[nH]ccc(=O)c7c6C)cc5c4)c3)nc2[nH]1
InChIInChI=1S/C48H32N6O2/c1-27-20-42(56)38-25-37(31-13-15-39-32(22-31)12-7-18-49-39)45(53-47(38)52-27)34-11-6-10-30(21-34)36-24-35-23-33(14-16-40(35)51-26-36)43-28(2)44-41(55)17-19-50-48(44)54-46(43)29-8-4-3-5-9-29/h3-26H,1-2H3,(H,50,54,55)(H,52,53,56)
InChIKeyMJQLLYWRAXZPKX-UHFFFAOYSA-N
MW724.82 g/mol
LogP10.21
Rot. Bonds5

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

5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 155170905) has the molecular formula C48H32N6O2 and a molecular weight of 724.82 g/mol. Its IUPAC name is 5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID155170905
Molecular FormulaC48H32N6O2
Molecular Weight724.82 g/mol
Exact Mass724.26
IUPAC Name5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3cccc(-c4cnc5ccc(-c6c(-c7ccccc7)nc7[nH]ccc(=O)c7c6C)cc5c4)c3)nc2[nH]1
InChIInChI=1S/C48H32N6O2/c1-27-20-42(56)38-25-37(31-13-15-39-32(22-31)12-7-18-49-39)45(53-47(38)52-27)34-11-6-10-30(21-34)36-24-35-23-33(14-16-40(35)51-26-36)43-28(2)44-41(55)17-19-50-48(44)54-46(43)29-8-4-3-5-9-29/h3-26H,1-2H3,(H,50,54,55)(H,52,53,56)
InChIKeyMJQLLYWRAXZPKX-UHFFFAOYSA-N
XLogP10.21
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.82
LogP ≤ 510.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one (CID 155170905) is 5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3cccc(-c4cnc5ccc(-c6c(-c7ccccc7)nc7[nH]ccc(=O)c7c6C)cc5c4)c3)nc2[nH]1.
What is the InChIKey of 5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is MJQLLYWRAXZPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6O2/c1-27-20-42(56)38-25-37(31-13-15-39-32(22-31)12-7-18-49-39)45(53-47(38)52-27)34-11-6-10-30(21-34)36-24-35-23-33(14-16-40(35)51-26-36)43-28(2)44-41(55)17-19-50-48(44)54-46(43)29-8-4-3-5-9-29/h3-26H,1-2H3,(H,50,54,55)(H,52,53,56).
What are the key properties of 5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one?
5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 724.82 g/mol, XLogP of 10.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).