9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol

C33H27FN2O2 — CID 91047653

IUPAC9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol
SMILESOCc1c2cccnc2c(CC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C33H27FN2O2/c34-25-15-13-22(14-16-25)19-36-20-29-30(21-37)26-12-7-17-35-32(26)28(31(29)33(36)38)18-27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-17,20,27,37-38H,18-19,21H2
InChIKeyZHQOWKXRUSACHZ-UHFFFAOYSA-N
MW502.59 g/mol
LogP6.95
Rot. Bonds7

About 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol

9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol (PubChem CID 91047653) has the molecular formula C33H27FN2O2 and a molecular weight of 502.59 g/mol. Its IUPAC name is 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol.

Molecular Properties

Compound Name9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol
PubChem CID91047653
Molecular FormulaC33H27FN2O2
Molecular Weight502.59 g/mol
Exact Mass502.21
IUPAC Name9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol
SMILESOCc1c2cccnc2c(CC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C33H27FN2O2/c34-25-15-13-22(14-16-25)19-36-20-29-30(21-37)26-12-7-17-35-32(26)28(31(29)33(36)38)18-27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-17,20,27,37-38H,18-19,21H2
InChIKeyZHQOWKXRUSACHZ-UHFFFAOYSA-N
XLogP6.95
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol with MolForge

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Related Compounds

9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol
CID 91025709
9-benzhydryloxy-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol
CID 91384854
[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-phenylmethanone
CID 90819307
7-[(4-fluorophenyl)methyl]-5-methoxypyrrolo[3,4-g]quinoline-8,9-diol
CID 91489906
[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl] N-benzylsulfamate
CID 91294767
N-[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-2-methylpropanamide
CID 90773025
7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide
CID 90919199
tert-butyl 2-[[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]oxycarbonylamino]acetate
CID 91322340
N-[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 91518317
7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-g]quinoline-8,9-diol
CID 91558422
methyl 2-[[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]oxycarbonylamino]-3-methylbutanoate
CID 91515834
N-[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-N-methylpyridine-2-sulfonamide
CID 91064964

Frequently Asked Questions

What is the IUPAC name of 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol?
The IUPAC name of 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol (CID 91047653) is 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol.
What is the SMILES notation for 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol?
The canonical SMILES for 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol is OCc1c2cccnc2c(CC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol?
The InChIKey is ZHQOWKXRUSACHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27FN2O2/c34-25-15-13-22(14-16-25)19-36-20-29-30(21-37)26-12-7-17-35-32(26)28(31(29)33(36)38)18-27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-17,20,27,37-38H,18-19,21H2.
What are the key properties of 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol?
9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol has a molecular weight of 502.59 g/mol, XLogP of 6.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol is sourced from PubChem (CID 91047653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).