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

C55H36Cl2N6O2S2 — CID 155170973

IUPAC6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCSCc1c(-c2cc(Cl)c3nc(-c4cccc(-c5nc6[nH]c(CSc7ccccc7)cc(=O)c6cc5-c5cc(Cl)c6ncccc6c5)c4)ccc3c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12
InChIInChI=1S/C55H36Cl2N6O2S2/c1-66-30-42-48(53(31-10-4-2-5-11-31)63-55-49(42)46(64)19-21-59-55)37-24-35-17-18-45(61-52(35)44(57)26-37)32-12-8-13-33(22-32)50-40(36-23-34-14-9-20-58-51(34)43(56)25-36)28-41-47(65)27-38(60-54(41)62-50)29-67-39-15-6-3-7-16-39/h2-28H,29-30H2,1H3,(H,59,63,64)(H,60,62,65)
InChIKeyUXQRGNMZIHDLGL-UHFFFAOYSA-N
MW947.97 g/mol
LogP14.05
Rot. Bonds10

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

6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 155170973) has the molecular formula C55H36Cl2N6O2S2 and a molecular weight of 947.97 g/mol. Its IUPAC name is 6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID155170973
Molecular FormulaC55H36Cl2N6O2S2
Molecular Weight947.97 g/mol
Exact Mass946.17
IUPAC Name6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCSCc1c(-c2cc(Cl)c3nc(-c4cccc(-c5nc6[nH]c(CSc7ccccc7)cc(=O)c6cc5-c5cc(Cl)c6ncccc6c5)c4)ccc3c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12
InChIInChI=1S/C55H36Cl2N6O2S2/c1-66-30-42-48(53(31-10-4-2-5-11-31)63-55-49(42)46(64)19-21-59-55)37-24-35-17-18-45(61-52(35)44(57)26-37)32-12-8-13-33(22-32)50-40(36-23-34-14-9-20-58-51(34)43(56)25-36)28-41-47(65)27-38(60-54(41)62-50)29-67-39-15-6-3-7-16-39/h2-28H,29-30H2,1H3,(H,59,63,64)(H,60,62,65)
InChIKeyUXQRGNMZIHDLGL-UHFFFAOYSA-N
XLogP14.05
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.97
LogP ≤ 514.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 155170973) is 6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one is CSCc1c(-c2cc(Cl)c3nc(-c4cccc(-c5nc6[nH]c(CSc7ccccc7)cc(=O)c6cc5-c5cc(Cl)c6ncccc6c5)c4)ccc3c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12.
What is the InChIKey of 6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is UXQRGNMZIHDLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36Cl2N6O2S2/c1-66-30-42-48(53(31-10-4-2-5-11-31)63-55-49(42)46(64)19-21-59-55)37-24-35-17-18-45(61-52(35)44(57)26-37)32-12-8-13-33(22-32)50-40(36-23-34-14-9-20-58-51(34)43(56)25-36)28-41-47(65)27-38(60-54(41)62-50)29-67-39-15-6-3-7-16-39/h2-28H,29-30H2,1H3,(H,59,63,64)(H,60,62,65).
What are the key properties of 6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 947.97 g/mol, XLogP of 14.05, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-chloro-2-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-7-(phenylsulfanylmethyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).