3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol

C23H19FN4O2 — CID 91294532

IUPAC3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol
SMILESCn1cc2c(Cn3ccnc3)c3cc(Cc4ccc(F)cc4)cnc3c(O)c2c1O
InChIInChI=1S/C23H19FN4O2/c1-27-11-19-18(12-28-7-6-25-13-28)17-9-15(8-14-2-4-16(24)5-3-14)10-26-21(17)22(29)20(19)23(27)30/h2-7,9-11,13,29-30H,8,12H2,1H3
InChIKeyKYUJYZGTRZSGMP-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.11
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol

3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol (PubChem CID 91294532) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol
PubChem CID91294532
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol
SMILESCn1cc2c(Cn3ccnc3)c3cc(Cc4ccc(F)cc4)cnc3c(O)c2c1O
InChIInChI=1S/C23H19FN4O2/c1-27-11-19-18(12-28-7-6-25-13-28)17-9-15(8-14-2-4-16(24)5-3-14)10-26-21(17)22(29)20(19)23(27)30/h2-7,9-11,13,29-30H,8,12H2,1H3
InChIKeyKYUJYZGTRZSGMP-UHFFFAOYSA-N
XLogP4.11
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol with MolForge

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Related Compounds

5-Imidazol-1-ylmethyl-quinolin-8-ol
CID 594190
5-[(4-Fluoranylimidazol-1-yl)methyl]quinolin-8-ol
CID 135121918
5-(1H-benzimidazol-1-ylmethyl)-8-quinolinol
CID 878890
5-(Indol-1-ylmethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145965949
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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol (CID 91294532) is 3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol is Cn1cc2c(Cn3ccnc3)c3cc(Cc4ccc(F)cc4)cnc3c(O)c2c1O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol?
The InChIKey is KYUJYZGTRZSGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-27-11-19-18(12-28-7-6-25-13-28)17-9-15(8-14-2-4-16(24)5-3-14)10-26-21(17)22(29)20(19)23(27)30/h2-7,9-11,13,29-30H,8,12H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol?
3-[(4-fluorophenyl)methyl]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol has a molecular weight of 402.43 g/mol, XLogP of 4.11, 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]-5-(imidazol-1-ylmethyl)-7-methylpyrrolo[3,4-g]quinoline-8,9-diol is sourced from PubChem (CID 91294532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).