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

C23H20FN3O4 — CID 15984047

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(C(=O)N3CCOCC3)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O4/c24-15-5-3-14(4-6-15)12-27-13-17-18(22(29)26-8-10-31-11-9-26)16-2-1-7-25-20(16)21(28)19(17)23(27)30/h1-7,28H,8-13H2
InChIKeyAWHRLSWFNXNGCA-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.71
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 15984047) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID15984047
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(C(=O)N3CCOCC3)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O4/c24-15-5-3-14(4-6-15)12-27-13-17-18(22(29)26-8-10-31-11-9-26)16-2-1-7-25-20(16)21(28)19(17)23(27)30/h1-7,28H,8-13H2
InChIKeyAWHRLSWFNXNGCA-UHFFFAOYSA-N
XLogP2.71
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one (CID 15984047) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one is O=C1c2c(c(C(=O)N3CCOCC3)c3cccnc3c2O)CN1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is AWHRLSWFNXNGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c24-15-5-3-14(4-6-15)12-27-13-17-18(22(29)26-8-10-31-11-9-26)16-2-1-7-25-20(16)21(28)19(17)23(27)30/h1-7,28H,8-13H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 421.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 15984047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).