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

C31H23FN2O3 — CID 136648154

IUPAC9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol
SMILESOc1c2cccnc2c(OC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C31H23FN2O3/c32-23-15-13-20(14-16-23)18-34-19-25-26(31(34)36)30(27-24(28(25)35)12-7-17-33-27)37-29(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-17,19,29,35-36H,18H2
InChIKeyULLKDLBOAUXLCU-UHFFFAOYSA-N
MW490.53 g/mol
LogP6.96
Rot. Bonds6

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

9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol (PubChem CID 136648154) has the molecular formula C31H23FN2O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol.

Molecular Properties

Compound Name9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol
PubChem CID136648154
Molecular FormulaC31H23FN2O3
Molecular Weight490.53 g/mol
Exact Mass490.17
IUPAC Name9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol
SMILESOc1c2cccnc2c(OC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C31H23FN2O3/c32-23-15-13-20(14-16-23)18-34-19-25-26(31(34)36)30(27-24(28(25)35)12-7-17-33-27)37-29(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-17,19,29,35-36H,18H2
InChIKeyULLKDLBOAUXLCU-UHFFFAOYSA-N
XLogP6.96
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Propan-2-ylphenyl)methoxy]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145973264
5-[(6-Methoxyindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145977585
5-[(5-Methoxy-2-methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145977618
5-Phenylmethoxy-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145977148
1H-Indol-4-ol, 7-methoxy-1-methyl-5,6-diphenyl-, 4-acetate
CID 188489
(3R,4R)-7-(6-fluoroquinolin-8-yl)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 121500080
7-(4-Fluoro-benzyl)-6,9-dihydroxy-5-methoxy-6-phenyl-6,7-dihydro-pyrrolo[3,4-g]quinolin-8-one
CID 10002771
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one
CID 58928674
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 58928900
10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol
CID 68932598
3-[(4-Fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol
CID 71156921
7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]-5-propan-2-yloxyquinolin-8-ol
CID 72704225

Frequently Asked Questions

What is the IUPAC name of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol?
The IUPAC name of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol (CID 136648154) is 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol.
What is the SMILES notation for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol?
The canonical SMILES for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol is Oc1c2cccnc2c(OC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol?
The InChIKey is ULLKDLBOAUXLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23FN2O3/c32-23-15-13-20(14-16-23)18-34-19-25-26(31(34)36)30(27-24(28(25)35)12-7-17-33-27)37-29(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-17,19,29,35-36H,18H2.
What are the key properties of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol?
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol has a molecular weight of 490.53 g/mol, XLogP of 6.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-5,8-diol is sourced from PubChem (CID 136648154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).