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

C55H43Cl2N9O2 — CID 155170955

IUPAC7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one
SMILESCN1CCN(c2cc(=O)c3cc(-c4cc(Cl)c5ncccc5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8c(=O)c(N9CCCC9)c[nH]c8nc7-c7ccccc7)cc6c5)c4)nc3[nH]2)CC1
InChIInChI=1S/C55H43Cl2N9O2/c1-64-17-19-66(20-18-64)48-29-47(67)42-27-40(36-22-35-13-8-14-58-51(35)44(56)25-36)50(63-55(42)61-48)34-12-7-11-33(21-34)39-24-38-23-37(26-45(57)52(38)59-30-39)41-28-43-53(68)46(65-15-5-6-16-65)31-60-54(43)62-49(41)32-9-3-2-4-10-32/h2-4,7-14,21-31H,5-6,15-20H2,1H3,(H,60,62,68)(H,61,63,67)
InChIKeyUCPILHGGHKOHQS-UHFFFAOYSA-N
MW932.92 g/mol
LogP11.25
Rot. Bonds7

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

7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 155170955) has the molecular formula C55H43Cl2N9O2 and a molecular weight of 932.92 g/mol. Its IUPAC name is 7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one
PubChem CID155170955
Molecular FormulaC55H43Cl2N9O2
Molecular Weight932.92 g/mol
Exact Mass931.29
IUPAC Name7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one
SMILESCN1CCN(c2cc(=O)c3cc(-c4cc(Cl)c5ncccc5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8c(=O)c(N9CCCC9)c[nH]c8nc7-c7ccccc7)cc6c5)c4)nc3[nH]2)CC1
InChIInChI=1S/C55H43Cl2N9O2/c1-64-17-19-66(20-18-64)48-29-47(67)42-27-40(36-22-35-13-8-14-58-51(35)44(56)25-36)50(63-55(42)61-48)34-12-7-11-33(21-34)39-24-38-23-37(26-45(57)52(38)59-30-39)41-28-43-53(68)46(65-15-5-6-16-65)31-60-54(43)62-49(41)32-9-3-2-4-10-32/h2-4,7-14,21-31H,5-6,15-20H2,1H3,(H,60,62,68)(H,61,63,67)
InChIKeyUCPILHGGHKOHQS-UHFFFAOYSA-N
XLogP11.25
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.92
LogP ≤ 511.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one (CID 155170955) is 7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one is CN1CCN(c2cc(=O)c3cc(-c4cc(Cl)c5ncccc5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8c(=O)c(N9CCCC9)c[nH]c8nc7-c7ccccc7)cc6c5)c4)nc3[nH]2)CC1.
What is the InChIKey of 7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is UCPILHGGHKOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43Cl2N9O2/c1-64-17-19-66(20-18-64)48-29-47(67)42-27-40(36-22-35-13-8-14-58-51(35)44(56)25-36)50(63-55(42)61-48)34-12-7-11-33(21-34)39-24-38-23-37(26-45(57)52(38)59-30-39)41-28-43-53(68)46(65-15-5-6-16-65)31-60-54(43)62-49(41)32-9-3-2-4-10-32/h2-4,7-14,21-31H,5-6,15-20H2,1H3,(H,60,62,68)(H,61,63,67).
What are the key properties of 7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one?
7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 932.92 g/mol, XLogP of 11.25, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[8-chloro-6-(5-oxo-2-phenyl-6-pyrrolidin-1-yl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).