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

C45H26ClFN8O2 — CID 155170898

IUPAC6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccncc3)c(-c3cc(F)c4nccc(Cc5cc(-c6nc7[nH]ccc(=O)c7cc6-c6cc(Cl)c7ncccc7c6)ccn5)c4c3)cc12
InChIInChI=1S/C45H26ClFN8O2/c46-36-20-28(16-26-2-1-9-50-42(26)36)32-22-34-38(56)8-15-53-45(34)55-41(32)27-6-12-49-30(18-27)17-25-5-13-51-43-31(25)19-29(21-37(43)47)33-23-35-39(57)7-14-52-44(35)54-40(33)24-3-10-48-11-4-24/h1-16,18-23H,17H2,(H,52,54,57)(H,53,55,56)
InChIKeySMDDGJBGNDCVFX-UHFFFAOYSA-N
MW765.21 g/mol
LogP9.10
Rot. Bonds6

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

6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one (PubChem CID 155170898) has the molecular formula C45H26ClFN8O2 and a molecular weight of 765.21 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one
PubChem CID155170898
Molecular FormulaC45H26ClFN8O2
Molecular Weight765.21 g/mol
Exact Mass764.19
IUPAC Name6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccncc3)c(-c3cc(F)c4nccc(Cc5cc(-c6nc7[nH]ccc(=O)c7cc6-c6cc(Cl)c7ncccc7c6)ccn5)c4c3)cc12
InChIInChI=1S/C45H26ClFN8O2/c46-36-20-28(16-26-2-1-9-50-42(26)36)32-22-34-38(56)8-15-53-45(34)55-41(32)27-6-12-49-30(18-27)17-25-5-13-51-43-31(25)19-29(21-37(43)47)33-23-35-39(57)7-14-52-44(35)54-40(33)24-3-10-48-11-4-24/h1-16,18-23H,17H2,(H,52,54,57)(H,53,55,56)
InChIKeySMDDGJBGNDCVFX-UHFFFAOYSA-N
XLogP9.10
TPSA143.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.21
LogP ≤ 59.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one (CID 155170898) is 6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2nc(-c3ccncc3)c(-c3cc(F)c4nccc(Cc5cc(-c6nc7[nH]ccc(=O)c7cc6-c6cc(Cl)c7ncccc7c6)ccn5)c4c3)cc12.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one?
The InChIKey is SMDDGJBGNDCVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26ClFN8O2/c46-36-20-28(16-26-2-1-9-50-42(26)36)32-22-34-38(56)8-15-53-45(34)55-41(32)27-6-12-49-30(18-27)17-25-5-13-51-43-31(25)19-29(21-37(43)47)33-23-35-39(57)7-14-52-44(35)54-40(33)24-3-10-48-11-4-24/h1-16,18-23H,17H2,(H,52,54,57)(H,53,55,56).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one?
6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one has a molecular weight of 765.21 g/mol, XLogP of 9.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-7-[2-[[8-fluoro-6-(5-oxo-2-pyridin-4-yl-8H-1,8-naphthyridin-3-yl)quinolin-4-yl]methyl]-4-pyridinyl]-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).