3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol

C24H21FN4O2 — CID 91296852

IUPAC3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol
SMILESCc1nccn1Cc1c2cc(Cc3ccc(F)cc3)cnc2c(O)c2c(O)n(C)cc12
InChIInChI=1S/C24H21FN4O2/c1-14-26-7-8-29(14)13-19-18-10-16(9-15-3-5-17(25)6-4-15)11-27-22(18)23(30)21-20(19)12-28(2)24(21)31/h3-8,10-12,30-31H,9,13H2,1-2H3
InChIKeyOZAGXNKKTYLNLX-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.42
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol

3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol (PubChem CID 91296852) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol
PubChem CID91296852
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol
SMILESCc1nccn1Cc1c2cc(Cc3ccc(F)cc3)cnc2c(O)c2c(O)n(C)cc12
InChIInChI=1S/C24H21FN4O2/c1-14-26-7-8-29(14)13-19-18-10-16(9-15-3-5-17(25)6-4-15)11-27-22(18)23(30)21-20(19)12-28(2)24(21)31/h3-8,10-12,30-31H,9,13H2,1-2H3
InChIKeyOZAGXNKKTYLNLX-UHFFFAOYSA-N
XLogP4.42
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-Fluoranylimidazol-1-yl)methyl]quinolin-8-ol
CID 135121918
5-(1H-benzimidazol-1-ylmethyl)-8-quinolinol
CID 878890
5-[(7-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145967324
5-[(6-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145972499
5-[(5-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145975872
5-[(2-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145976281
5-[(4-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145976969
5-[(2,3-Dimethylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145977840
5-[(7-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145966841
5-[(6-Chloropurin-9-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145967409
5-[(2-Ethylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145972778
5-[(4-Phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 164623532

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol (CID 91296852) is 3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol is Cc1nccn1Cc1c2cc(Cc3ccc(F)cc3)cnc2c(O)c2c(O)n(C)cc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol?
The InChIKey is OZAGXNKKTYLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-14-26-7-8-29(14)13-19-18-10-16(9-15-3-5-17(25)6-4-15)11-27-22(18)23(30)21-20(19)12-28(2)24(21)31/h3-8,10-12,30-31H,9,13H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol?
3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol has a molecular weight of 416.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol is sourced from PubChem (CID 91296852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).