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

C66H37ClN10O4 — CID 155170941

IUPAC6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccc(-c4cnc5ccc(-c6cc7c(=O)cc[nH]c7nc6-c6ccc(-c7cnc8ccc(-c9cc%10c(=O)cc[nH]c%10nc9-c9ccccc9)cc8n7)o6)cc5c4)cc3)c(-c3cc(Cl)c4ncccc4c3)cc12
InChIInChI=1S/C66H37ClN10O4/c67-50-28-41(26-40-7-4-21-68-62(40)50)46-32-49-57(80)19-23-70-65(49)76-61(46)37-10-8-35(9-11-37)43-27-42-25-38(12-14-51(42)72-33-43)45-31-48-56(79)20-24-71-66(48)77-63(45)59-17-16-58(81-59)54-34-73-52-15-13-39(29-53(52)74-54)44-30-47-55(78)18-22-69-64(47)75-60(44)36-5-2-1-3-6-36/h1-34H,(H,69,75,78)(H,70,76,80)(H,71,77,79)
InChIKeyRWGGVYJVEZZONI-UHFFFAOYSA-N
MW1069.54 g/mol
LogP14.02
Rot. Bonds8

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

6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one (PubChem CID 155170941) has the molecular formula C66H37ClN10O4 and a molecular weight of 1069.54 g/mol. Its IUPAC name is 6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one
PubChem CID155170941
Molecular FormulaC66H37ClN10O4
Molecular Weight1069.54 g/mol
Exact Mass1068.27
IUPAC Name6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccc(-c4cnc5ccc(-c6cc7c(=O)cc[nH]c7nc6-c6ccc(-c7cnc8ccc(-c9cc%10c(=O)cc[nH]c%10nc9-c9ccccc9)cc8n7)o6)cc5c4)cc3)c(-c3cc(Cl)c4ncccc4c3)cc12
InChIInChI=1S/C66H37ClN10O4/c67-50-28-41(26-40-7-4-21-68-62(40)50)46-32-49-57(80)19-23-70-65(49)76-61(46)37-10-8-35(9-11-37)43-27-42-25-38(12-14-51(42)72-33-43)45-31-48-56(79)20-24-71-66(48)77-63(45)59-17-16-58(81-59)54-34-73-52-15-13-39(29-53(52)74-54)44-30-47-55(78)18-22-69-64(47)75-60(44)36-5-2-1-3-6-36/h1-34H,(H,69,75,78)(H,70,76,80)(H,71,77,79)
InChIKeyRWGGVYJVEZZONI-UHFFFAOYSA-N
XLogP14.02
TPSA201.95 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.54
LogP ≤ 514.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one (CID 155170941) is 6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2nc(-c3ccc(-c4cnc5ccc(-c6cc7c(=O)cc[nH]c7nc6-c6ccc(-c7cnc8ccc(-c9cc%10c(=O)cc[nH]c%10nc9-c9ccccc9)cc8n7)o6)cc5c4)cc3)c(-c3cc(Cl)c4ncccc4c3)cc12.
What is the InChIKey of 6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one?
The InChIKey is RWGGVYJVEZZONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H37ClN10O4/c67-50-28-41(26-40-7-4-21-68-62(40)50)46-32-49-57(80)19-23-70-65(49)76-61(46)37-10-8-35(9-11-37)43-27-42-25-38(12-14-51(42)72-33-43)45-31-48-56(79)20-24-71-66(48)77-63(45)59-17-16-58(81-59)54-34-73-52-15-13-39(29-53(52)74-54)44-30-47-55(78)18-22-69-64(47)75-60(44)36-5-2-1-3-6-36/h1-34H,(H,69,75,78)(H,70,76,80)(H,71,77,79).
What are the key properties of 6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one?
6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one has a molecular weight of 1069.54 g/mol, XLogP of 14.02, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[3-(8-chloroquinolin-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[5-[7-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoxalin-2-yl]furan-2-yl]-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).