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

C44H27ClFN5O2 — CID 155170923

IUPAC6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one
SMILESCc1cc(Cl)cc(-c2cc3ccc(=O)[nH]c3nc2-c2cccc(-c3cnc4ccc(-c5cc6c(=O)cc[nH]c6nc5-c5ccc(F)cc5)cc4c3)c2)c1
InChIInChI=1S/C44H27ClFN5O2/c1-24-15-30(20-33(45)16-24)35-21-29-8-12-40(53)49-43(29)50-42(35)28-4-2-3-26(17-28)32-19-31-18-27(7-11-38(31)48-23-32)36-22-37-39(52)13-14-47-44(37)51-41(36)25-5-9-34(46)10-6-25/h2-23H,1H3,(H,47,51,52)(H,49,50,53)
InChIKeyVHIOLHBYWZKWRE-UHFFFAOYSA-N
MW712.18 g/mol
LogP10.14
Rot. Bonds5

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

6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one (PubChem CID 155170923) has the molecular formula C44H27ClFN5O2 and a molecular weight of 712.18 g/mol. Its IUPAC name is 6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one
PubChem CID155170923
Molecular FormulaC44H27ClFN5O2
Molecular Weight712.18 g/mol
Exact Mass711.18
IUPAC Name6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one
SMILESCc1cc(Cl)cc(-c2cc3ccc(=O)[nH]c3nc2-c2cccc(-c3cnc4ccc(-c5cc6c(=O)cc[nH]c6nc5-c5ccc(F)cc5)cc4c3)c2)c1
InChIInChI=1S/C44H27ClFN5O2/c1-24-15-30(20-33(45)16-24)35-21-29-8-12-40(53)49-43(29)50-42(35)28-4-2-3-26(17-28)32-19-31-18-27(7-11-38(31)48-23-32)36-22-37-39(52)13-14-47-44(37)51-41(36)25-5-9-34(46)10-6-25/h2-23H,1H3,(H,47,51,52)(H,49,50,53)
InChIKeyVHIOLHBYWZKWRE-UHFFFAOYSA-N
XLogP10.14
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.18
LogP ≤ 510.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one (CID 155170923) is 6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one is Cc1cc(Cl)cc(-c2cc3ccc(=O)[nH]c3nc2-c2cccc(-c3cnc4ccc(-c5cc6c(=O)cc[nH]c6nc5-c5ccc(F)cc5)cc4c3)c2)c1.
What is the InChIKey of 6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one?
The InChIKey is VHIOLHBYWZKWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27ClFN5O2/c1-24-15-30(20-33(45)16-24)35-21-29-8-12-40(53)49-43(29)50-42(35)28-4-2-3-26(17-28)32-19-31-18-27(7-11-38(31)48-23-32)36-22-37-39(52)13-14-47-44(37)51-41(36)25-5-9-34(46)10-6-25/h2-23H,1H3,(H,47,51,52)(H,49,50,53).
What are the key properties of 6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one?
6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one has a molecular weight of 712.18 g/mol, XLogP of 10.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 155170923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).