6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one

C78H54Cl3N9O3 — CID 155170907

IUPAC6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc(=O)[nH]c2nc(-c3cccc(-c4cnc5c(Cl)cc(-c6c(-c7ccc(-c8cnc9c(Cl)cc(-c%10cc%11c(C=C(C)C)cc(=O)[nH]c%11nc%10-c%10ccccc%10)cc9c8)cc7)nc7[nH]c(=O)ccc7c6C(C)C)cc5c4)c3)c(-c3cc(Cl)c4ncccc4c3)cc12
InChIInChI=1S/C78H54Cl3N9O3/c1-6-42-34-66(92)86-77-60(42)36-59(50-26-48-16-11-23-82-72(48)62(79)31-50)71(89-77)47-15-10-14-46(25-47)56-30-54-28-52(33-64(81)74(54)84-39-56)69-68(41(4)5)57-21-22-65(91)85-76(57)90-75(69)45-19-17-43(18-20-45)55-29-53-27-51(32-63(80)73(53)83-38-55)58-37-61-49(24-40(2)3)35-67(93)87-78(61)88-70(58)44-12-8-7-9-13-44/h7-39,41H,6H2,1-5H3,(H,85,90,91)(H,86,89,92)(H,87,88,93)
InChIKeyAJJGNRUNNNKQGN-UHFFFAOYSA-N
MW1271.71 g/mol
LogP19.45
Rot. Bonds11

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

6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one (PubChem CID 155170907) has the molecular formula C78H54Cl3N9O3 and a molecular weight of 1271.71 g/mol. Its IUPAC name is 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one
PubChem CID155170907
Molecular FormulaC78H54Cl3N9O3
Molecular Weight1271.71 g/mol
Exact Mass1269.34
IUPAC Name6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc(=O)[nH]c2nc(-c3cccc(-c4cnc5c(Cl)cc(-c6c(-c7ccc(-c8cnc9c(Cl)cc(-c%10cc%11c(C=C(C)C)cc(=O)[nH]c%11nc%10-c%10ccccc%10)cc9c8)cc7)nc7[nH]c(=O)ccc7c6C(C)C)cc5c4)c3)c(-c3cc(Cl)c4ncccc4c3)cc12
InChIInChI=1S/C78H54Cl3N9O3/c1-6-42-34-66(92)86-77-60(42)36-59(50-26-48-16-11-23-82-72(48)62(79)31-50)71(89-77)47-15-10-14-46(25-47)56-30-54-28-52(33-64(81)74(54)84-39-56)69-68(41(4)5)57-21-22-65(91)85-76(57)90-75(69)45-19-17-43(18-20-45)55-29-53-27-51(32-63(80)73(53)83-38-55)58-37-61-49(24-40(2)3)35-67(93)87-78(61)88-70(58)44-12-8-7-9-13-44/h7-39,41H,6H2,1-5H3,(H,85,90,91)(H,86,89,92)(H,87,88,93)
InChIKeyAJJGNRUNNNKQGN-UHFFFAOYSA-N
XLogP19.45
TPSA175.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001271.71
LogP ≤ 519.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one (CID 155170907) is 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one is CCc1cc(=O)[nH]c2nc(-c3cccc(-c4cnc5c(Cl)cc(-c6c(-c7ccc(-c8cnc9c(Cl)cc(-c%10cc%11c(C=C(C)C)cc(=O)[nH]c%11nc%10-c%10ccccc%10)cc9c8)cc7)nc7[nH]c(=O)ccc7c6C(C)C)cc5c4)c3)c(-c3cc(Cl)c4ncccc4c3)cc12.
What is the InChIKey of 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is AJJGNRUNNNKQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54Cl3N9O3/c1-6-42-34-66(92)86-77-60(42)36-59(50-26-48-16-11-23-82-72(48)62(79)31-50)71(89-77)47-15-10-14-46(25-47)56-30-54-28-52(33-64(81)74(54)84-39-56)69-68(41(4)5)57-21-22-65(91)85-76(57)90-75(69)45-19-17-43(18-20-45)55-29-53-27-51(32-63(80)73(53)83-38-55)58-37-61-49(24-40(2)3)35-67(93)87-78(61)88-70(58)44-12-8-7-9-13-44/h7-39,41H,6H2,1-5H3,(H,85,90,91)(H,86,89,92)(H,87,88,93).
What are the key properties of 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one?
6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 1271.71 g/mol, XLogP of 19.45, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-ethyl-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-[4-[8-chloro-6-[5-(2-methylprop-1-enyl)-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-5-propan-2-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 155170907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).