3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline

C21H19FN2O — CID 9905717

IUPAC3-ethyl-1-(4-fluoro-2-methylphenyl)-6-methoxypyrrolo[3,2-c]quinoline
SMILESCCC1=CN(C2=C3C=CC=C(C3=NC=C12)OC)C4=C(C=C(C=C4)F)C
InChIInChI=1S/C21H19FN2O/c1-4-14-12-24(18-9-8-15(22)10-13(18)2)21-16-6-5-7-19(25-3)20(16)23-11-17(14)21/h5-12H,4H2,1-3H3
InChIKeyFFOQRXWLIHIUFX-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.20
Rot. Bonds3

About 3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline

3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline (PubChem CID 9905717) has the molecular formula C21H19FN2O and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluoro-2-methylphenyl)-6-methoxypyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline
PubChem CID9905717
Molecular FormulaC21H19FN2O
Molecular Weight334.40 g/mol
Exact Mass334.15
IUPAC Name3-ethyl-1-(4-fluoro-2-methylphenyl)-6-methoxypyrrolo[3,2-c]quinoline
SMILESCCC1=CN(C2=C3C=CC=C(C3=NC=C12)OC)C4=C(C=C(C=C4)F)C
InChIInChI=1S/C21H19FN2O/c1-4-14-12-24(18-9-8-15(22)10-13(18)2)21-16-6-5-7-19(25-3)20(16)23-11-17(14)21/h5-12H,4H2,1-3H3
InChIKeyFFOQRXWLIHIUFX-UHFFFAOYSA-N
XLogP5.20
TPSA27.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity461

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Methoxyquinoline
CID 70310
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
SK&F 96079
CID 196776
[3-(1H-Indol-3-yl)-propyl]-[2-(quinolin-8-yloxy)-ethyl]-amine
CID 9906183
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
8-Methoxyquinolin-4-amine
CID 16767485
Kryptofix 5
CID 93310
7-Benzyloxygramine
CID 260807
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1-methyl-1H-indole
CID 20744797
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
CID 129318960

Frequently Asked Questions

What is the IUPAC name of 3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline?
The IUPAC name of 3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline (CID 9905717) is 3-ethyl-1-(4-fluoro-2-methylphenyl)-6-methoxypyrrolo[3,2-c]quinoline.
What is the SMILES notation for 3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline?
The canonical SMILES for 3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline is CCC1=CN(C2=C3C=CC=C(C3=NC=C12)OC)C4=C(C=C(C=C4)F)C.
What is the InChIKey of 3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline?
The InChIKey is FFOQRXWLIHIUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-4-14-12-24(18-9-8-15(22)10-13(18)2)21-16-6-5-7-19(25-3)20(16)23-11-17(14)21/h5-12H,4H2,1-3H3.
What are the key properties of 3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline?
3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline has a molecular weight of 334.40 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline is sourced from PubChem (CID 9905717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).