9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane

C61H48F2N6O6 — CID 158757334

About 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane

9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane (PubChem CID 158757334) has the molecular formula C61H48F2N6O6 and a molecular weight of 999.09 g/mol. Its IUPAC name is 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane.

Molecular Properties

• Compound Name: 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane
• PubChem CID: 158757334
• Molecular Formula: C61H48F2N6O6
• Molecular Weight: 999.09 g/mol
• Exact Mass: 998.36
• IUPAC Name: 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane
• SMILES: C.COc1ncccc1-c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.O=C1c2c(c(-c3ccc[nH]c3=O)c3cccnc3c2O)CN1Cc1ccc(F)cc1
• InChI: InChI=1S/C37H28FN3O3.C23H16FN3O3.CH4/c1-43-36-29(15-9-21-40-36)31-28-14-8-20-39-33(28)35(44-34(25-10-4-2-5-11-25)26-12-6-3-7-13-26)32-30(31)23-41(37(32)42)22-24-16-18-27(38)19-17-24;24-14-7-5-13(6-8-14)11-27-12-17-18(16-4-2-10-26-22(16)29)15-3-1-9-25-20(15)21(28)19(17)23(27)30;/h2-21,34H,22-23H2,1H3;1-10,28H,11-12H2,(H,26,29);1H4
• InChIKey: IOFSKAOCNRREDK-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 150.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.09
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane?

The IUPAC name of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane (CID 158757334) is 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane.

What is the SMILES notation for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane?

The canonical SMILES for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane is C.COc1ncccc1-c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.O=C1c2c(c(-c3ccc[nH]c3=O)c3cccnc3c2O)CN1Cc1ccc(F)cc1.

What is the InChIKey of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane?

The InChIKey is IOFSKAOCNRREDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28FN3O3.C23H16FN3O3.CH4/c1-43-36-29(15-9-21-40-36)31-28-14-8-20-39-33(28)35(44-34(25-10-4-2-5-11-25)26-12-6-3-7-13-26)32-30(31)23-41(37(32)42)22-24-16-18-27(38)19-17-24;24-14-7-5-13(6-8-14)11-27-12-17-18(16-4-2-10-26-22(16)29)15-3-1-9-25-20(15)21(28)19(17)23(27)30;/h2-21,34H,22-23H2,1H3;1-10,28H,11-12H2,(H,26,29);1H4.

What are the key properties of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane?

9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane has a molecular weight of 999.09 g/mol, XLogP of 12.00, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-oxo-1H-pyridin-3-yl)-6H-pyrrolo[3,4-g]quinolin-8-one;methane is sourced from PubChem (CID 158757334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).