3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol

C22H19FN2O2 — CID 90901481

IUPAC3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol
SMILESC=C(C)c1c2cc(Cc3ccc(F)cc3)cnc2c(O)c2c(O)n(C)cc12
InChIInChI=1S/C22H19FN2O2/c1-12(2)18-16-9-14(8-13-4-6-15(23)7-5-13)10-24-20(16)21(26)19-17(18)11-25(3)22(19)27/h4-7,9-11,26-27H,1,8H2,2-3H3
InChIKeyWLUKXPKENGXYDJ-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.90
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol

3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol (PubChem CID 90901481) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol
PubChem CID90901481
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol
SMILESC=C(C)c1c2cc(Cc3ccc(F)cc3)cnc2c(O)c2c(O)n(C)cc12
InChIInChI=1S/C22H19FN2O2/c1-12(2)18-16-9-14(8-13-4-6-15(23)7-5-13)10-24-20(16)21(26)19-17(18)11-25(3)22(19)27/h4-7,9-11,26-27H,1,8H2,2-3H3
InChIKeyWLUKXPKENGXYDJ-UHFFFAOYSA-N
XLogP4.90
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol with MolForge

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Related Compounds

5-((Benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 3426979
7-Hydroxyellipticine
CID 125663
N(2),N(6)-Dimethyl-9-hydroxyellipticinium
CID 125770
5-(((4-Isopropylbenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 77108439
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-[(6-Chloro-5-fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145966488
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-[(6-Nitroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145975931

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol (CID 90901481) is 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol is C=C(C)c1c2cc(Cc3ccc(F)cc3)cnc2c(O)c2c(O)n(C)cc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol?
The InChIKey is WLUKXPKENGXYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-12(2)18-16-9-14(8-13-4-6-15(23)7-5-13)10-24-20(16)21(26)19-17(18)11-25(3)22(19)27/h4-7,9-11,26-27H,1,8H2,2-3H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol?
3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol has a molecular weight of 362.40 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-7-methyl-5-prop-1-en-2-ylpyrrolo[3,4-g]quinoline-8,9-diol is sourced from PubChem (CID 90901481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).