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

C46H30Cl2N6O4 — CID 155170983

IUPAC6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncc(Cc4cc(-c5nc6[nH]ccc(=O)c6cc5-c5cc(Cl)c6nccc(C)c6c5)oc4C)cc3c2)o1
InChIInChI=1S/C46H30Cl2N6O4/c1-22-6-9-49-42-30(22)15-28(17-36(42)48)32-20-34-38(56)8-11-51-46(34)54-44(32)40-18-26(24(3)58-40)12-25-13-29-14-27(16-35(47)41(29)52-21-25)31-19-33-37(55)7-10-50-45(33)53-43(31)39-5-4-23(2)57-39/h4-11,13-21H,12H2,1-3H3,(H,50,53,55)(H,51,54,56)
InChIKeyPBGRSIKFDTZODL-UHFFFAOYSA-N
MW801.69 g/mol
LogP10.93
Rot. Bonds6

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

6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 155170983) has the molecular formula C46H30Cl2N6O4 and a molecular weight of 801.69 g/mol. Its IUPAC name is 6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one
PubChem CID155170983
Molecular FormulaC46H30Cl2N6O4
Molecular Weight801.69 g/mol
Exact Mass800.17
IUPAC Name6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncc(Cc4cc(-c5nc6[nH]ccc(=O)c6cc5-c5cc(Cl)c6nccc(C)c6c5)oc4C)cc3c2)o1
InChIInChI=1S/C46H30Cl2N6O4/c1-22-6-9-49-42-30(22)15-28(17-36(42)48)32-20-34-38(56)8-11-51-46(34)54-44(32)40-18-26(24(3)58-40)12-25-13-29-14-27(16-35(47)41(29)52-21-25)31-19-33-37(55)7-10-50-45(33)53-43(31)39-5-4-23(2)57-39/h4-11,13-21H,12H2,1-3H3,(H,50,53,55)(H,51,54,56)
InChIKeyPBGRSIKFDTZODL-UHFFFAOYSA-N
XLogP10.93
TPSA143.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.69
LogP ≤ 510.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one (CID 155170983) is 6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one is Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncc(Cc4cc(-c5nc6[nH]ccc(=O)c6cc5-c5cc(Cl)c6nccc(C)c6c5)oc4C)cc3c2)o1.
What is the InChIKey of 6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is PBGRSIKFDTZODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30Cl2N6O4/c1-22-6-9-49-42-30(22)15-28(17-36(42)48)32-20-34-38(56)8-11-51-46(34)54-44(32)40-18-26(24(3)58-40)12-25-13-29-14-27(16-35(47)41(29)52-21-25)31-19-33-37(55)7-10-50-45(33)53-43(31)39-5-4-23(2)57-39/h4-11,13-21H,12H2,1-3H3,(H,50,53,55)(H,51,54,56).
What are the key properties of 6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one?
6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 801.69 g/mol, XLogP of 10.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-chloro-3-[[5-[3-(8-chloro-4-methylquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]-2-methylfuran-3-yl]methyl]quinolin-6-yl]-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).