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

C47H36N6O2 — CID 155170957

IUPAC7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1c(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)ccc2ncc(C3CCCC(c4nc5[nH]ccc(=O)c5cc4-c4ccc5ncccc5c4)C3)cc12
InChIInChI=1S/C47H36N6O2/c1-27-34(37-25-39-43(55)17-20-50-47(39)52-44(37)28-7-3-2-4-8-28)13-15-41-35(27)23-33(26-51-41)29-9-5-10-32(21-29)45-36(24-38-42(54)16-19-49-46(38)53-45)30-12-14-40-31(22-30)11-6-18-48-40/h2-4,6-8,11-20,22-26,29,32H,5,9-10,21H2,1H3,(H,49,53,54)(H,50,52,55)
InChIKeyRUBRGNKLCXUJPT-UHFFFAOYSA-N
MW716.85 g/mol
LogP10.01
Rot. Bonds5

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

7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 155170957) has the molecular formula C47H36N6O2 and a molecular weight of 716.85 g/mol. Its IUPAC name is 7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID155170957
Molecular FormulaC47H36N6O2
Molecular Weight716.85 g/mol
Exact Mass716.29
IUPAC Name7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1c(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)ccc2ncc(C3CCCC(c4nc5[nH]ccc(=O)c5cc4-c4ccc5ncccc5c4)C3)cc12
InChIInChI=1S/C47H36N6O2/c1-27-34(37-25-39-43(55)17-20-50-47(39)52-44(37)28-7-3-2-4-8-28)13-15-41-35(27)23-33(26-51-41)29-9-5-10-32(21-29)45-36(24-38-42(54)16-19-49-46(38)53-45)30-12-14-40-31(22-30)11-6-18-48-40/h2-4,6-8,11-20,22-26,29,32H,5,9-10,21H2,1H3,(H,49,53,54)(H,50,52,55)
InChIKeyRUBRGNKLCXUJPT-UHFFFAOYSA-N
XLogP10.01
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 510.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 155170957) is 7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cc1c(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)ccc2ncc(C3CCCC(c4nc5[nH]ccc(=O)c5cc4-c4ccc5ncccc5c4)C3)cc12.
What is the InChIKey of 7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is RUBRGNKLCXUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N6O2/c1-27-34(37-25-39-43(55)17-20-50-47(39)52-44(37)28-7-3-2-4-8-28)13-15-41-35(27)23-33(26-51-41)29-9-5-10-32(21-29)45-36(24-38-42(54)16-19-49-46(38)53-45)30-12-14-40-31(22-30)11-6-18-48-40/h2-4,6-8,11-20,22-26,29,32H,5,9-10,21H2,1H3,(H,49,53,54)(H,50,52,55).
What are the key properties of 7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 716.85 g/mol, XLogP of 10.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[5-methyl-6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]cyclohexyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).