N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate

C102H81Cl2F4N11O17 — CID 158131416

About N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate

N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate (PubChem CID 158131416) has the molecular formula C102H81Cl2F4N11O17 and a molecular weight of 1879.73 g/mol. Its IUPAC name is N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate.

Molecular Properties

• Compound Name: N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate
• PubChem CID: 158131416
• Molecular Formula: C102H81Cl2F4N11O17
• Molecular Weight: 1879.73 g/mol
• Exact Mass: 1877.51
• IUPAC Name: N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate
• SMILES: COC(=O)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.COc1c2c(c(O)c3ncccc13)C(=O)N(CCc1ccc(F)cc1)C2.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1cc(Cl)cc(Cl)c1)C2.O=C(NC1CCCC1)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.O=C1c2cccnc2C(=O)c2c1c(O)n(CCc1ccc(F)cc1)c2O
• InChI: InChI=1S/C24H22FN3O3.C20H15FN2O4.C20H17FN2O3.C19H14Cl2N2O3.C19H13FN2O4/c25-15-9-7-14(8-10-15)12-28-13-18-19(23(30)27-16-4-1-2-5-16)17-6-3-11-26-21(17)22(29)20(18)24(28)31;1-27-20(26)15-13-3-2-8-22-17(13)18(24)16-14(15)10-23(19(16)25)9-11-4-6-12(21)7-5-11;1-26-19-14-3-2-9-22-17(14)18(24)16-15(19)11-23(20(16)25)10-8-12-4-6-13(21)7-5-12;1-26-18-13-3-2-4-22-16(13)17(24)15-14(18)9-23(19(15)25)8-10-5-11(20)7-12(21)6-10;20-11-5-3-10(4-6-11)7-9-22-18(25)13-14(19(22)26)17(24)15-12(16(13)23)2-1-8-21-15/h3,6-11,16,29H,1-2,4-5,12-13H2,(H,27,30);2-8,24H,9-10H2,1H3;2-7,9,24H,8,10-11H2,1H3;2-7,24H,8-9H2,1H3;1-6,8,25-26H,7,9H2
• InChIKey: QKJPECPLVMKPET-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 380.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1879.73
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate?

The IUPAC name of N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate (CID 158131416) is N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate.

What is the SMILES notation for N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate?

The canonical SMILES for N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate is COC(=O)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.COc1c2c(c(O)c3ncccc13)C(=O)N(CCc1ccc(F)cc1)C2.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1cc(Cl)cc(Cl)c1)C2.O=C(NC1CCCC1)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.O=C1c2cccnc2C(=O)c2c1c(O)n(CCc1ccc(F)cc1)c2O.

What is the InChIKey of N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate?

The InChIKey is QKJPECPLVMKPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3.C20H15FN2O4.C20H17FN2O3.C19H14Cl2N2O3.C19H13FN2O4/c25-15-9-7-14(8-10-15)12-28-13-18-19(23(30)27-16-4-1-2-5-16)17-6-3-11-26-21(17)22(29)20(18)24(28)31;1-27-20(26)15-13-3-2-8-22-17(13)18(24)16-14(15)10-23(19(16)25)9-11-4-6-12(21)7-5-11;1-26-19-14-3-2-9-22-17(14)18(24)16-15(19)11-23(20(16)25)10-8-12-4-6-13(21)7-5-12;1-26-18-13-3-2-4-22-16(13)17(24)15-14(18)9-23(19(15)25)8-10-5-11(20)7-12(21)6-10;20-11-5-3-10(4-6-11)7-9-22-18(25)13-14(19(22)26)17(24)15-12(16(13)23)2-1-8-21-15/h3,6-11,16,29H,1-2,4-5,12-13H2,(H,27,30);2-8,24H,9-10H2,1H3;2-7,9,24H,8,10-11H2,1H3;2-7,24H,8-9H2,1H3;1-6,8,25-26H,7,9H2.

What are the key properties of N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate?

N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate has a molecular weight of 1879.73 g/mol, XLogP of 17.08, 17 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;7-[(3,5-dichlorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;7-[2-(4-fluorophenyl)ethyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;7-[2-(4-fluorophenyl)ethyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate is sourced from PubChem (CID 158131416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).