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

C19H15FN2O4 — CID 10383471

IUPAC7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2O
InChIInChI=1S/C19H15FN2O4/c1-26-17-12-3-2-8-21-15(12)16(23)13-14(17)19(25)22(18(13)24)9-10-4-6-11(20)7-5-10/h2-8,19,23,25H,9H2,1H3
InChIKeyOMYDADTZOQJGJY-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.73
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 10383471) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID10383471
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2O
InChIInChI=1S/C19H15FN2O4/c1-26-17-12-3-2-8-21-15(12)16(23)13-14(17)19(25)22(18(13)24)9-10-4-6-11(20)7-5-10/h2-8,19,23,25H,9H2,1H3
InChIKeyOMYDADTZOQJGJY-UHFFFAOYSA-N
XLogP2.73
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one (CID 10383471) is 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one is COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is OMYDADTZOQJGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-26-17-12-3-2-8-21-15(12)16(23)13-14(17)19(25)22(18(13)24)9-10-4-6-11(20)7-5-10/h2-8,19,23,25H,9H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 354.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 10383471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).