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

C46H28N6O2 — CID 155170895

IUPAC7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(-c3ccc4ncccc4c3)c(-c3cccc(-c4cnc5ccc(-c6cc7c(=O)cc[nH]c7nc6-c6ccccc6)cc5c4)c3)nc2[nH]1
InChIInChI=1S/C46H28N6O2/c53-41-17-19-48-46-38(41)25-37(43(52-46)27-6-2-1-3-7-27)30-12-15-40-34(22-30)23-35(26-49-40)28-8-4-9-32(20-28)44-36(24-33-13-16-42(54)50-45(33)51-44)29-11-14-39-31(21-29)10-5-18-47-39/h1-26H,(H,48,52,53)(H,50,51,54)
InChIKeyKFOOLHVRPIHCEF-UHFFFAOYSA-N
MW696.77 g/mol
LogP9.59
Rot. Bonds5

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

7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 155170895) has the molecular formula C46H28N6O2 and a molecular weight of 696.77 g/mol. Its IUPAC name is 7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID155170895
Molecular FormulaC46H28N6O2
Molecular Weight696.77 g/mol
Exact Mass696.23
IUPAC Name7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(-c3ccc4ncccc4c3)c(-c3cccc(-c4cnc5ccc(-c6cc7c(=O)cc[nH]c7nc6-c6ccccc6)cc5c4)c3)nc2[nH]1
InChIInChI=1S/C46H28N6O2/c53-41-17-19-48-46-38(41)25-37(43(52-46)27-6-2-1-3-7-27)30-12-15-40-34(22-30)23-35(26-49-40)28-8-4-9-32(20-28)44-36(24-33-13-16-42(54)50-45(33)51-44)29-11-14-39-31(21-29)10-5-18-47-39/h1-26H,(H,48,52,53)(H,50,51,54)
InChIKeyKFOOLHVRPIHCEF-UHFFFAOYSA-N
XLogP9.59
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.77
LogP ≤ 59.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 155170895) is 7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is O=c1ccc2cc(-c3ccc4ncccc4c3)c(-c3cccc(-c4cnc5ccc(-c6cc7c(=O)cc[nH]c7nc6-c6ccccc6)cc5c4)c3)nc2[nH]1.
What is the InChIKey of 7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is KFOOLHVRPIHCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6O2/c53-41-17-19-48-46-38(41)25-37(43(52-46)27-6-2-1-3-7-27)30-12-15-40-34(22-30)23-35(26-49-40)28-8-4-9-32(20-28)44-36(24-33-13-16-42(54)50-45(33)51-44)29-11-14-39-31(21-29)10-5-18-47-39/h1-26H,(H,48,52,53)(H,50,51,54).
What are the key properties of 7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 696.77 g/mol, XLogP of 9.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 155170895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).