9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol

C33H25FN2O2 — CID 90754889

IUPAC9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol
SMILESC=Cc1c2cccnc2c(OC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C33H25FN2O2/c1-2-26-27-14-9-19-35-30(27)32(38-31(23-10-5-3-6-11-23)24-12-7-4-8-13-24)29-28(26)21-36(33(29)37)20-22-15-17-25(34)18-16-22/h2-19,21,31,37H,1,20H2
InChIKeyVEERANTYCBYCFJ-UHFFFAOYSA-N
MW500.57 g/mol
LogP7.89
Rot. Bonds7

About 9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol

9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol (PubChem CID 90754889) has the molecular formula C33H25FN2O2 and a molecular weight of 500.57 g/mol. Its IUPAC name is 9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol.

Molecular Properties

Compound Name9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol
PubChem CID90754889
Molecular FormulaC33H25FN2O2
Molecular Weight500.57 g/mol
Exact Mass500.19
IUPAC Name9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol
SMILESC=Cc1c2cccnc2c(OC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C33H25FN2O2/c1-2-26-27-14-9-19-35-30(27)32(38-31(23-10-5-3-6-11-23)24-12-7-4-8-13-24)29-28(26)21-36(33(29)37)20-22-15-17-25(34)18-16-22/h2-19,21,31,37H,1,20H2
InChIKeyVEERANTYCBYCFJ-UHFFFAOYSA-N
XLogP7.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.57
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-7-(4-fluorobenzyl)-6H-pyrrolo[3,4-g]quinolin-8(7H)-one
CID 10071236
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
7-(Pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol
CID 164624263
US9714221, Example 152
CID 137194205
Quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-methyl-7-quinolyl)vinyl]-1-methyl-iodide
CID 135488971
7-(2-(6-Ethoxy-1-methyl-1lambda(5)-quinolin-2-yl)vinyl)-5-methyl-8-quinolinol
CID 135429829
7-(2-(6-Ethoxy-1-methyl-15-quinolin-2-yl)vinyl)-5-methyl-8-quinolinol
CID 494058
7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide
CID 135534477
7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol
CID 135485442
5-Fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
CID 19083939
8-Benzyloxy-5,7-diphenylquinoline
CID 25164114

Frequently Asked Questions

What is the IUPAC name of 9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol?
The IUPAC name of 9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol (CID 90754889) is 9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol.
What is the SMILES notation for 9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol?
The canonical SMILES for 9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol is C=Cc1c2cccnc2c(OC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol?
The InChIKey is VEERANTYCBYCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25FN2O2/c1-2-26-27-14-9-19-35-30(27)32(38-31(23-10-5-3-6-11-23)24-12-7-4-8-13-24)29-28(26)21-36(33(29)37)20-22-15-17-25(34)18-16-22/h2-19,21,31,37H,1,20H2.
What are the key properties of 9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol?
9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol has a molecular weight of 500.57 g/mol, XLogP of 7.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydryloxy-5-ethenyl-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol is sourced from PubChem (CID 90754889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).