7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol

C26H19FN2O2 — CID 90717516

IUPAC7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol
SMILESOc1c2ncccc2c(C=Cc2ccccc2)c2cn(Cc3ccc(F)cc3)c(O)c12
InChIInChI=1S/C26H19FN2O2/c27-19-11-8-18(9-12-19)15-29-16-22-20(13-10-17-5-2-1-3-6-17)21-7-4-14-28-24(21)25(30)23(22)26(29)31/h1-14,16,30-31H,15H2
InChIKeyVUWJJCIPRKJPDR-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.96
Rot. Bonds4

About 7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol

7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol (PubChem CID 90717516) has the molecular formula C26H19FN2O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol
PubChem CID90717516
Molecular FormulaC26H19FN2O2
Molecular Weight410.45 g/mol
Exact Mass410.14
IUPAC Name7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol
SMILESOc1c2ncccc2c(C=Cc2ccccc2)c2cn(Cc3ccc(F)cc3)c(O)c12
InChIInChI=1S/C26H19FN2O2/c27-19-11-8-18(9-12-19)15-29-16-22-20(13-10-17-5-2-1-3-6-17)21-7-4-14-28-24(21)25(30)23(22)26(29)31/h1-14,16,30-31H,15H2
InChIKeyVUWJJCIPRKJPDR-UHFFFAOYSA-N
XLogP5.96
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Unii-8KG95Q2dqh
CID 25268906
5-(2,6-difluorophenyl)-7-(4-fluorobenzyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8(7H)-one
CID 10409865
7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 16072870
5-((Benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 3426979
GNF-Pf-3485
CID 2904976
7-Hydroxyellipticine
CID 125663
N(2),N(6)-Dimethyl-9-hydroxyellipticinium
CID 125770
1-(3-Carbazol-9-yl-2-hydroxy-propyl)-8-hydroxy-quinolinium
CID 2904977
5-[[(8-Hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol
CID 25268549
5-[[(8-Hydroxyquinolin-5-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-8-ol
CID 45112556
5,5'-[[[3,5-Bis(trifluoromethyl)benzyl]imino]bismethylene]bis(quinoline-8-ol)
CID 45112557
5-(((4-Isopropylbenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 77108439

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol (CID 90717516) is 7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol is Oc1c2ncccc2c(C=Cc2ccccc2)c2cn(Cc3ccc(F)cc3)c(O)c12.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol?
The InChIKey is VUWJJCIPRKJPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O2/c27-19-11-8-18(9-12-19)15-29-16-22-20(13-10-17-5-2-1-3-6-17)21-7-4-14-28-24(21)25(30)23(22)26(29)31/h1-14,16,30-31H,15H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol?
7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol has a molecular weight of 410.45 g/mol, XLogP of 5.96, 4 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-(2-phenylethenyl)pyrrolo[3,4-g]quinoline-8,9-diol is sourced from PubChem (CID 90717516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).