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

C80H53Cl3F6N10O4 — CID 155170920

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

6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 155170920) has the molecular formula C80H53Cl3F6N10O4 and a molecular weight of 1438.72 g/mol. Its IUPAC name is 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one
• PubChem CID: 155170920
• Molecular Formula: C80H53Cl3F6N10O4
• Molecular Weight: 1438.72 g/mol
• Exact Mass: 1436.32
• IUPAC Name: 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one
• SMILES: CC(c1c(-c2cc(Cl)c3ncc(-c4cccc(-c5nc6[nH]c(CCC(F)(F)F)cc(=O)c6cc5-c5cc(Cl)c6ncc(-c7cccc(-c8nc9[nH]cc(CN%10CCC(O)C%10)c(=O)c9cc8-c8cc(Cl)c9ncccc9c8)c7)cc6c5)c4)cc3c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12)C(F)(F)F
• InChI: InChI=1S/C80H53Cl3F6N10O4/c1-40(80(87,88)89)66-67(74(41-8-3-2-4-9-41)98-78-68(66)64(101)16-20-91-78)49-26-51-28-53(36-93-73(51)63(83)31-49)43-11-6-13-45(23-43)70-57(33-59-65(102)32-55(95-77(59)97-70)15-18-79(84,85)86)48-25-50-27-52(35-92-72(50)62(82)30-48)42-10-5-12-44(22-42)69-58(47-24-46-14-7-19-90-71(46)61(81)29-47)34-60-75(103)54(37-94-76(60)96-69)38-99-21-17-56(100)39-99/h2-14,16,19-20,22-37,40,56,100H,15,17-18,21,38-39H2,1H3,(H,91,98,101)(H,94,96,103)(H,95,97,102)
• InChIKey: VJBHDGXVFNUIEU-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 199.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1438.72
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one?

The IUPAC name of 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one (CID 155170920) is 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one is CC(c1c(-c2cc(Cl)c3ncc(-c4cccc(-c5nc6[nH]c(CCC(F)(F)F)cc(=O)c6cc5-c5cc(Cl)c6ncc(-c7cccc(-c8nc9[nH]cc(CN%10CCC(O)C%10)c(=O)c9cc8-c8cc(Cl)c9ncccc9c8)c7)cc6c5)c4)cc3c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12)C(F)(F)F.

What is the InChIKey of 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one?

The InChIKey is VJBHDGXVFNUIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H53Cl3F6N10O4/c1-40(80(87,88)89)66-67(74(41-8-3-2-4-9-41)98-78-68(66)64(101)16-20-91-78)49-26-51-28-53(36-93-73(51)63(83)31-49)43-11-6-13-45(23-43)70-57(33-59-65(102)32-55(95-77(59)97-70)15-18-79(84,85)86)48-25-50-27-52(35-92-72(50)62(82)30-48)42-10-5-12-44(22-42)69-58(47-24-46-14-7-19-90-71(46)61(81)29-47)34-60-75(103)54(37-94-76(60)96-69)38-99-21-17-56(100)39-99/h2-14,16,19-20,22-37,40,56,100H,15,17-18,21,38-39H2,1H3,(H,91,98,101)(H,94,96,103)(H,95,97,102).

What are the key properties of 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one?

6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 1438.72 g/mol, XLogP of 19.06, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).