6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine

C25H26FN3O2 — CID 44819452

IUPAC6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine
SMILESCOCCN1CCc2c(nc(Cc3ccc(OC)c(F)c3)c3[nH]c4ccccc4c23)C1
InChIInChI=1S/C25H26FN3O2/c1-30-12-11-29-10-9-18-22(15-29)27-21(14-16-7-8-23(31-2)19(26)13-16)25-24(18)17-5-3-4-6-20(17)28-25/h3-8,13,28H,9-12,14-15H2,1-2H3
InChIKeyDPBFDJDWPDAQPQ-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.46
Rot. Bonds6

About 6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine

6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine (PubChem CID 44819452) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine.

Molecular Properties

Compound Name6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine
PubChem CID44819452
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine
SMILESCOCCN1CCc2c(nc(Cc3ccc(OC)c(F)c3)c3[nH]c4ccccc4c23)C1
InChIInChI=1S/C25H26FN3O2/c1-30-12-11-29-10-9-18-22(15-29)27-21(14-16-7-8-23(31-2)19(26)13-16)25-24(18)17-5-3-4-6-20(17)28-25/h3-8,13,28H,9-12,14-15H2,1-2H3
InChIKeyDPBFDJDWPDAQPQ-UHFFFAOYSA-N
XLogP4.46
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine?
The IUPAC name of 6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine (CID 44819452) is 6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine.
What is the SMILES notation for 6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine?
The canonical SMILES for 6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine is COCCN1CCc2c(nc(Cc3ccc(OC)c(F)c3)c3[nH]c4ccccc4c23)C1.
What is the InChIKey of 6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine?
The InChIKey is DPBFDJDWPDAQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-30-12-11-29-10-9-18-22(15-29)27-21(14-16-7-8-23(31-2)19(26)13-16)25-24(18)17-5-3-4-6-20(17)28-25/h3-8,13,28H,9-12,14-15H2,1-2H3.
What are the key properties of 6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine?
6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine has a molecular weight of 419.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridine is sourced from PubChem (CID 44819452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).