5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid

C86H75F7N8O12 — CID 159691383

IUPAC5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid
SMILESCN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(=O)N2CCC(F)(F)CC2)C1=O.COc1ccc(COc2c3c(c(C(=O)N4CCC(F)(F)CC4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.COc1ccc(COc2c3c(c(C(=O)O)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1
InChIInChI=1S/C33H30F3N3O4.C28H23FN2O5.C25H22F3N3O3/c1-38-18-26-27(32(41)39-13-11-33(35,36)12-14-39)25-16-22(15-20-3-7-23(34)8-4-20)17-37-29(25)30(28(26)31(38)40)43-19-21-5-9-24(42-2)10-6-21;1-31-14-22-23(28(33)34)21-12-18(11-16-3-7-19(29)8-4-16)13-30-25(21)26(24(22)27(31)32)36-15-17-5-9-20(35-2)10-6-17;1-30-13-18-19(24(34)31-8-6-25(27,28)7-9-31)17-11-15(10-14-2-4-16(26)5-3-14)12-29-21(17)22(32)20(18)23(30)33/h3-10,16-17H,11-15,18-19H2,1-2H3;3-10,12-13H,11,14-15H2,1-2H3,(H,33,34);2-5,11-12,32H,6-10,13H2,1H3
InChIKeyMWLNCFZDEOVTAF-UHFFFAOYSA-N
MW1545.58 g/mol
LogP14.97
Rot. Bonds17

About 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid

5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid (PubChem CID 159691383) has the molecular formula C86H75F7N8O12 and a molecular weight of 1545.58 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid
PubChem CID159691383
Molecular FormulaC86H75F7N8O12
Molecular Weight1545.58 g/mol
Exact Mass1544.54
IUPAC Name5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid
SMILESCN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(=O)N2CCC(F)(F)CC2)C1=O.COc1ccc(COc2c3c(c(C(=O)N4CCC(F)(F)CC4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.COc1ccc(COc2c3c(c(C(=O)O)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1
InChIInChI=1S/C33H30F3N3O4.C28H23FN2O5.C25H22F3N3O3/c1-38-18-26-27(32(41)39-13-11-33(35,36)12-14-39)25-16-22(15-20-3-7-23(34)8-4-20)17-37-29(25)30(28(26)31(38)40)43-19-21-5-9-24(42-2)10-6-21;1-31-14-22-23(28(33)34)21-12-18(11-16-3-7-19(29)8-4-16)13-30-25(21)26(24(22)27(31)32)36-15-17-5-9-20(35-2)10-6-17;1-30-13-18-19(24(34)31-8-6-25(27,28)7-9-31)17-11-15(10-14-2-4-16(26)5-3-14)12-29-21(17)22(32)20(18)23(30)33/h3-10,16-17H,11-15,18-19H2,1-2H3;3-10,12-13H,11,14-15H2,1-2H3,(H,33,34);2-5,11-12,32H,6-10,13H2,1H3
InChIKeyMWLNCFZDEOVTAF-UHFFFAOYSA-N
XLogP14.97
TPSA234.67 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001545.58
LogP ≤ 514.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid with MolForge

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Related Compounds

methyl 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate
CID 42601466
tert-butyl 2-[[3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carbonyl]amino]-2-methylpropanoate
CID 57969385
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 57969388
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-6H-pyrrolo[3,4-g]quinolin-8-one
CID 57999839
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-N,N-dimethyl-8-oxo-6,7-dihydropyrrolo[3,4-g]quinoline-5-carboxamide
CID 57999862
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 57999865
3-[(4-fluorophenyl)methyl]-5-(4-fluoropiperidine-1-carbonyl)-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
CID 57999911
2-[3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid
CID 57999924
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
CID 57999929
9-benzhydryloxy-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 57999938
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-N,N,7-trimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 57999972
3-[(4-fluorophenyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 57999992

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid?
The IUPAC name of 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid (CID 159691383) is 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid.
What is the SMILES notation for 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid?
The canonical SMILES for 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid is CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(=O)N2CCC(F)(F)CC2)C1=O.COc1ccc(COc2c3c(c(C(=O)N4CCC(F)(F)CC4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.COc1ccc(COc2c3c(c(C(=O)O)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.
What is the InChIKey of 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid?
The InChIKey is MWLNCFZDEOVTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N3O4.C28H23FN2O5.C25H22F3N3O3/c1-38-18-26-27(32(41)39-13-11-33(35,36)12-14-39)25-16-22(15-20-3-7-23(34)8-4-20)17-37-29(25)30(28(26)31(38)40)43-19-21-5-9-24(42-2)10-6-21;1-31-14-22-23(28(33)34)21-12-18(11-16-3-7-19(29)8-4-16)13-30-25(21)26(24(22)27(31)32)36-15-17-5-9-20(35-2)10-6-17;1-30-13-18-19(24(34)31-8-6-25(27,28)7-9-31)17-11-15(10-14-2-4-16(26)5-3-14)12-29-21(17)22(32)20(18)23(30)33/h3-10,16-17H,11-15,18-19H2,1-2H3;3-10,12-13H,11,14-15H2,1-2H3,(H,33,34);2-5,11-12,32H,6-10,13H2,1H3.
What are the key properties of 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid?
5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid has a molecular weight of 1545.58 g/mol, XLogP of 14.97, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-(4,4-difluoropiperidine-1-carbonyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid is sourced from PubChem (CID 159691383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).