7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one

C18H13FN2O3 — CID 136654920

IUPAC7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(O)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C18H13FN2O3/c19-11-5-3-10(4-6-11)8-21-9-13-14(18(21)24)17(23)15-12(16(13)22)2-1-7-20-15/h1-7,22-23H,8-9H2
InChIKeyFMBRQBDRJDDJMB-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.94
Rot. Bonds2

About 7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one

7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 136654920) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID136654920
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(O)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C18H13FN2O3/c19-11-5-3-10(4-6-11)8-21-9-13-14(18(21)24)17(23)15-12(16(13)22)2-1-7-20-15/h1-7,22-23H,8-9H2
InChIKeyFMBRQBDRJDDJMB-UHFFFAOYSA-N
XLogP2.94
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

7-[(4-fluorophenyl)methyl]-5-[[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]oxy]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 142780121
5-(2,6-difluorophenyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 10409865
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(3-phosphanylphenyl)-6H-pyrrolo[3,4-g]quinolin-8-one
CID 143149170
[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N,N-diethylcarbamate
CID 58929011
[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-methylsulfamate
CID 58652915
5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 58652595
3,7-bis[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 136613774
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one
CID 135410954
5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 58653034
1-chloro-N-(cyclopropylmethyl)-N-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]methanesulfonamide
CID 24872355
[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate
CID 89212640
N-[(5-amino-2-pyridinyl)methyl]-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 58652758

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one (CID 136654920) is 7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one is O=C1c2c(c(O)c3cccnc3c2O)CN1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is FMBRQBDRJDDJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c19-11-5-3-10(4-6-11)8-21-9-13-14(18(21)24)17(23)15-12(16(13)22)2-1-7-20-15/h1-7,22-23H,8-9H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 324.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 136654920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).