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

C21H18FN3O3 — CID 90833092

IUPAC3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol
SMILESCC(N=O)c1c2cc(Cc3ccc(F)cc3)cnc2c(O)c2c(O)n(C)cc12
InChIInChI=1S/C21H18FN3O3/c1-11(24-28)17-15-8-13(7-12-3-5-14(22)6-4-12)9-23-19(15)20(26)18-16(17)10-25(2)21(18)27/h3-6,8-11,26-27H,7H2,1-2H3
InChIKeyXEEWUQFPCMXSGX-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.70
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol (PubChem CID 90833092) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol
PubChem CID90833092
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol
SMILESCC(N=O)c1c2cc(Cc3ccc(F)cc3)cnc2c(O)c2c(O)n(C)cc12
InChIInChI=1S/C21H18FN3O3/c1-11(24-28)17-15-8-13(7-12-3-5-14(22)6-4-12)9-23-19(15)20(26)18-16(17)10-25(2)21(18)27/h3-6,8-11,26-27H,7H2,1-2H3
InChIKeyXEEWUQFPCMXSGX-UHFFFAOYSA-N
XLogP4.70
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[8-Hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl]methyl]indole-5-carbonitrile
CID 145964758
5-[(5-Nitroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145965674
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-[(4-Nitroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145975531
5-[(5-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145975872
5-[(6-Nitroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145975931
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
2,5,11-trimethyl-6H-pyrido[3,4-h]carbazol-2-ium-7-ol
CID 44331206

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol (CID 90833092) is 3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol is CC(N=O)c1c2cc(Cc3ccc(F)cc3)cnc2c(O)c2c(O)n(C)cc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol?
The InChIKey is XEEWUQFPCMXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-11(24-28)17-15-8-13(7-12-3-5-14(22)6-4-12)9-23-19(15)20(26)18-16(17)10-25(2)21(18)27/h3-6,8-11,26-27H,7H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol?
3-[(4-fluorophenyl)methyl]-7-methyl-5-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol has a molecular weight of 379.39 g/mol, XLogP of 4.70, 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-(1-nitrosoethyl)pyrrolo[3,4-g]quinoline-8,9-diol is sourced from PubChem (CID 90833092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).