7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one

C24H22FN3O3 — CID 10002153

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(C(=O)N3CCCCC3)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C24H22FN3O3/c25-16-8-6-15(7-9-16)13-28-14-18-19(23(30)27-11-2-1-3-12-27)17-5-4-10-26-21(17)22(29)20(18)24(28)31/h4-10,29H,1-3,11-14H2
InChIKeyYWFKSUMAULRWDX-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.86
Rot. Bonds3

About 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 10002153) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID10002153
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(C(=O)N3CCCCC3)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C24H22FN3O3/c25-16-8-6-15(7-9-16)13-28-14-18-19(23(30)27-11-2-1-3-12-27)17-5-4-10-26-21(17)22(29)20(18)24(28)31/h4-10,29H,1-3,11-14H2
InChIKeyYWFKSUMAULRWDX-UHFFFAOYSA-N
XLogP3.86
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one (CID 10002153) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one is O=C1c2c(c(C(=O)N3CCCCC3)c3cccnc3c2O)CN1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is YWFKSUMAULRWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-16-8-6-15(7-9-16)13-28-14-18-19(23(30)27-11-2-1-3-12-27)17-5-4-10-26-21(17)22(29)20(18)24(28)31/h4-10,29H,1-3,11-14H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 419.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(piperidine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 10002153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).