8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione

C20H19FN2O3 — CID 143553117

IUPAC8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione
SMILESCCN1CCc2c(Oc3cc(F)ccc3C)cc3c(c2C1)NC(=O)C3=O
InChIInChI=1S/C20H19FN2O3/c1-3-23-7-6-13-15(10-23)18-14(19(24)20(25)22-18)9-17(13)26-16-8-12(21)5-4-11(16)2/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,22,24,25)
InChIKeyQQTXVNFVIHQWNS-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.44
Rot. Bonds3

About 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione

8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione (PubChem CID 143553117) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione.

Molecular Properties

Compound Name8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione
PubChem CID143553117
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione
SMILESCCN1CCc2c(Oc3cc(F)ccc3C)cc3c(c2C1)NC(=O)C3=O
InChIInChI=1S/C20H19FN2O3/c1-3-23-7-6-13-15(10-23)18-14(19(24)20(25)22-18)9-17(13)26-16-8-12(21)5-4-11(16)2/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,22,24,25)
InChIKeyQQTXVNFVIHQWNS-UHFFFAOYSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione with MolForge

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Related Compounds

8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione
CID 59647495
2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 144821043
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
CID 102989965
2-(chloromethyl)-1-(5-fluoro-2-methylphenoxy)-4-methylbenzene
CID 114054837
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990039
1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968095
2-ethyl-7-fluoro-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole
CID 71425514
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 102987550
5-(2-ethoxycarbonyl-5-fluorophenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 174766801
2-[1-(chloromethyl)cyclopropyl]oxy-4-fluoro-1-methylbenzene
CID 126974023
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione?
The IUPAC name of 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione (CID 143553117) is 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione.
What is the SMILES notation for 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione?
The canonical SMILES for 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione is CCN1CCc2c(Oc3cc(F)ccc3C)cc3c(c2C1)NC(=O)C3=O.
What is the InChIKey of 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione?
The InChIKey is QQTXVNFVIHQWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-3-23-7-6-13-15(10-23)18-14(19(24)20(25)22-18)9-17(13)26-16-8-12(21)5-4-11(16)2/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,22,24,25).
What are the key properties of 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione?
8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione has a molecular weight of 354.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-(5-fluoro-2-methylphenoxy)-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione is sourced from PubChem (CID 143553117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).