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

C78H55Cl3N10O3 — CID 155170992

IUPAC6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(Cc2c[nH]c3nc(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8cc(C)c(=O)[nH]c8nc7-c7ccccc7)cc6c5)c4)c(-c4cc(Cl)nc(Cc5cccc(-c6nc7[nH]c(Cn8ccc(C)c8)cc(=O)c7cc6-c6cc(C)nc(Cl)c6)c5)c4)cc3c2=O)cc1
InChIInChI=1S/C78H55Cl3N10O3/c1-42-16-18-46(19-17-42)24-58-39-83-76-65(74(58)93)37-63(72(88-76)51-15-9-13-49(27-51)57-29-55-28-53(32-66(79)73(55)82-38-57)61-31-56-22-44(3)78(94)90-75(56)87-70(61)48-11-6-5-7-12-48)54-30-59(85-69(81)34-54)26-47-10-8-14-50(25-47)71-62(52-23-45(4)84-68(80)33-52)36-64-67(92)35-60(86-77(64)89-71)41-91-21-20-43(2)40-91/h5-23,25,27-40H,24,26,41H2,1-4H3,(H,83,88,93)(H,86,89,92)(H,87,90,94)
InChIKeyNCTRMMXTSJDARR-UHFFFAOYSA-N
MW1286.72 g/mol
LogP17.63
Rot. Bonds13

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

6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one (PubChem CID 155170992) has the molecular formula C78H55Cl3N10O3 and a molecular weight of 1286.72 g/mol. Its IUPAC name is 6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
PubChem CID155170992
Molecular FormulaC78H55Cl3N10O3
Molecular Weight1286.72 g/mol
Exact Mass1284.35
IUPAC Name6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(Cc2c[nH]c3nc(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8cc(C)c(=O)[nH]c8nc7-c7ccccc7)cc6c5)c4)c(-c4cc(Cl)nc(Cc5cccc(-c6nc7[nH]c(Cn8ccc(C)c8)cc(=O)c7cc6-c6cc(C)nc(Cl)c6)c5)c4)cc3c2=O)cc1
InChIInChI=1S/C78H55Cl3N10O3/c1-42-16-18-46(19-17-42)24-58-39-83-76-65(74(58)93)37-63(72(88-76)51-15-9-13-49(27-51)57-29-55-28-53(32-66(79)73(55)82-38-57)61-31-56-22-44(3)78(94)90-75(56)87-70(61)48-11-6-5-7-12-48)54-30-59(85-69(81)34-54)26-47-10-8-14-50(25-47)71-62(52-23-45(4)84-68(80)33-52)36-64-67(92)35-60(86-77(64)89-71)41-91-21-20-43(2)40-91/h5-23,25,27-40H,24,26,41H2,1-4H3,(H,83,88,93)(H,86,89,92)(H,87,90,94)
InChIKeyNCTRMMXTSJDARR-UHFFFAOYSA-N
XLogP17.63
TPSA180.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001286.72
LogP ≤ 517.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-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-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one (CID 155170992) is 6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one is Cc1ccc(Cc2c[nH]c3nc(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8cc(C)c(=O)[nH]c8nc7-c7ccccc7)cc6c5)c4)c(-c4cc(Cl)nc(Cc5cccc(-c6nc7[nH]c(Cn8ccc(C)c8)cc(=O)c7cc6-c6cc(C)nc(Cl)c6)c5)c4)cc3c2=O)cc1.
What is the InChIKey of 6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one?
The InChIKey is NCTRMMXTSJDARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H55Cl3N10O3/c1-42-16-18-46(19-17-42)24-58-39-83-76-65(74(58)93)37-63(72(88-76)51-15-9-13-49(27-51)57-29-55-28-53(32-66(79)73(55)82-38-57)61-31-56-22-44(3)78(94)90-75(56)87-70(61)48-11-6-5-7-12-48)54-30-59(85-69(81)34-54)26-47-10-8-14-50(25-47)71-62(52-23-45(4)84-68(80)33-52)36-64-67(92)35-60(86-77(64)89-71)41-91-21-20-43(2)40-91/h5-23,25,27-40H,24,26,41H2,1-4H3,(H,83,88,93)(H,86,89,92)(H,87,90,94).
What are the key properties of 6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one?
6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one has a molecular weight of 1286.72 g/mol, XLogP of 17.63, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-chloro-3-[3-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-[(3-methylpyrrol-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-[(4-methylphenyl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 155170992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).