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

C19H15FN2O3 — CID 25218540

IUPAC3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2
InChIInChI=1S/C19H15FN2O3/c1-25-18-13-7-11(6-10-2-4-12(20)5-3-10)8-21-16(13)17(23)15-14(18)9-22-19(15)24/h2-5,7-8,23H,6,9H2,1H3,(H,22,24)
InChIKeyXRBIRQRZNGSARA-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.92
Rot. Bonds3

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

3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one (PubChem CID 25218540) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
PubChem CID25218540
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2
InChIInChI=1S/C19H15FN2O3/c1-25-18-13-7-11(6-10-2-4-12(20)5-3-10)8-21-16(13)17(23)15-14(18)9-22-19(15)24/h2-5,7-8,23H,6,9H2,1H3,(H,22,24)
InChIKeyXRBIRQRZNGSARA-UHFFFAOYSA-N
XLogP2.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one (CID 25218540) is 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one is COc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one?
The InChIKey is XRBIRQRZNGSARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-25-18-13-7-11(6-10-2-4-12(20)5-3-10)8-21-16(13)17(23)15-14(18)9-22-19(15)24/h2-5,7-8,23H,6,9H2,1H3,(H,22,24).
What are the key properties of 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one?
3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one has a molecular weight of 338.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 25218540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).