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

C60H41Cl2N7O2 — CID 155171009

IUPAC7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(Cl)c5ncc(-c6ccc(-c7nc8[nH]c(Cn9ccc(C)c9)cc(=O)c8cc7-c7cc(Cl)c8ncccc8c7)cc6)cc5c4)cc3c2=O)cc1
InChIInChI=1S/C60H41Cl2N7O2/c1-34-10-12-36(13-11-34)21-45-31-65-59-50(58(45)71)29-48(54(67-59)38-7-4-3-5-8-38)42-23-43-24-44(30-64-57(43)52(62)26-42)37-14-16-39(17-15-37)55-47(41-22-40-9-6-19-63-56(40)51(61)25-41)28-49-53(70)27-46(66-60(49)68-55)33-69-20-18-35(2)32-69/h3-20,22-32H,21,33H2,1-2H3,(H,65,67,71)(H,66,68,70)
InChIKeyOTDOCPUFQBCXAR-UHFFFAOYSA-N
MW962.94 g/mol
LogP13.96
Rot. Bonds9

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

7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one (PubChem CID 155171009) has the molecular formula C60H41Cl2N7O2 and a molecular weight of 962.94 g/mol. Its IUPAC name is 7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one
PubChem CID155171009
Molecular FormulaC60H41Cl2N7O2
Molecular Weight962.94 g/mol
Exact Mass961.27
IUPAC Name7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(Cl)c5ncc(-c6ccc(-c7nc8[nH]c(Cn9ccc(C)c9)cc(=O)c8cc7-c7cc(Cl)c8ncccc8c7)cc6)cc5c4)cc3c2=O)cc1
InChIInChI=1S/C60H41Cl2N7O2/c1-34-10-12-36(13-11-34)21-45-31-65-59-50(58(45)71)29-48(54(67-59)38-7-4-3-5-8-38)42-23-43-24-44(30-64-57(43)52(62)26-42)37-14-16-39(17-15-37)55-47(41-22-40-9-6-19-63-56(40)51(61)25-41)28-49-53(70)27-46(66-60(49)68-55)33-69-20-18-35(2)32-69/h3-20,22-32H,21,33H2,1-2H3,(H,65,67,71)(H,66,68,70)
InChIKeyOTDOCPUFQBCXAR-UHFFFAOYSA-N
XLogP13.96
TPSA122.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.94
LogP ≤ 513.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one (CID 155171009) is 7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one is Cc1ccc(Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(Cl)c5ncc(-c6ccc(-c7nc8[nH]c(Cn9ccc(C)c9)cc(=O)c8cc7-c7cc(Cl)c8ncccc8c7)cc6)cc5c4)cc3c2=O)cc1.
What is the InChIKey of 7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one?
The InChIKey is OTDOCPUFQBCXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41Cl2N7O2/c1-34-10-12-36(13-11-34)21-45-31-65-59-50(58(45)71)29-48(54(67-59)38-7-4-3-5-8-38)42-23-43-24-44(30-64-57(43)52(62)26-42)37-14-16-39(17-15-37)55-47(41-22-40-9-6-19-63-56(40)51(61)25-41)28-49-53(70)27-46(66-60(49)68-55)33-69-20-18-35(2)32-69/h3-20,22-32H,21,33H2,1-2H3,(H,65,67,71)(H,66,68,70).
What are the key properties of 7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one?
7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one has a molecular weight of 962.94 g/mol, XLogP of 13.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[8-chloro-6-[6-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-[(3-methylpyrrol-1-yl)methyl]-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155171009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).