5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one

C20H18FN3O2 — CID 143584250

IUPAC5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
SMILESCN(C)c1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2
InChIInChI=1S/C20H18FN3O2/c1-24(2)18-14-8-12(7-11-3-5-13(21)6-4-11)9-22-17(14)19(25)16-15(18)10-23-20(16)26/h3-6,8-9,25H,7,10H2,1-2H3,(H,23,26)
InChIKeyFWAXNBRVMIXASZ-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.98
Rot. Bonds3

About 5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one

5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one (PubChem CID 143584250) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
PubChem CID143584250
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
SMILESCN(C)c1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2
InChIInChI=1S/C20H18FN3O2/c1-24(2)18-14-8-12(7-11-3-5-13(21)6-4-11)9-22-17(14)19(25)16-15(18)10-23-20(16)26/h3-6,8-9,25H,7,10H2,1-2H3,(H,23,26)
InChIKeyFWAXNBRVMIXASZ-UHFFFAOYSA-N
XLogP2.98
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6,7-dihydropyrrolo[3,4-g]quinolin-5-yl]-methylcarbamic acid
CID 69149567
N-[7-[(5-chloro-2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide;N-[7-[(5-chloro-2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide;N-[3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-8-oxo-6,7-dihydropyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 160829940
2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-5-[methyl(methylsulfonyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl]-N,N-dimethylacetamide
CID 58000062
3,7-bis[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 136613774
5-[ethyl(methylsulfanyl)amino]-7-(2-fluoroethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 143584265
5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol
CID 58763099
5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-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-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline
CID 157269890
5-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
CID 42623306
3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide
CID 59696515
N-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylsulfonylpyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 90873877
3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methyl-5-[methyl(methylsulfamoyl)amino]pyrrolo[3,4-g]quinoline
CID 91459586
N-ethyl-N-[7-(2-fluoroethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]methanesulfonamide;N-ethyl-N-[7-(2-fluoroethyl)-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]methanesulfonamide
CID 162044495

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one (CID 143584250) is 5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one is CN(C)c1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2.
What is the InChIKey of 5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one?
The InChIKey is FWAXNBRVMIXASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-24(2)18-14-8-12(7-11-3-5-13(21)6-4-11)9-22-17(14)19(25)16-15(18)10-23-20(16)26/h3-6,8-9,25H,7,10H2,1-2H3,(H,23,26).
What are the key properties of 5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one?
5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one has a molecular weight of 351.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 143584250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).