6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine

C22H20FN3O — CID 66955551

IUPAC6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine
SMILESFCOc1cccc(Cc2nc3c(c4c2[nH]c2ccccc24)CCCN3)c1
InChIInChI=1S/C22H20FN3O/c23-13-27-15-6-3-5-14(11-15)12-19-21-20(16-7-1-2-9-18(16)25-21)17-8-4-10-24-22(17)26-19/h1-3,5-7,9,11,25H,4,8,10,12-13H2,(H,24,26)
InChIKeyWWVPMVZCUGWDCY-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.97
Rot. Bonds4

About 6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine

6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine (PubChem CID 66955551) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine.

Molecular Properties

Compound Name6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine
PubChem CID66955551
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine
SMILESFCOc1cccc(Cc2nc3c(c4c2[nH]c2ccccc24)CCCN3)c1
InChIInChI=1S/C22H20FN3O/c23-13-27-15-6-3-5-14(11-15)12-19-21-20(16-7-1-2-9-18(16)25-21)17-8-4-10-24-22(17)26-19/h1-3,5-7,9,11,25H,4,8,10,12-13H2,(H,24,26)
InChIKeyWWVPMVZCUGWDCY-UHFFFAOYSA-N
XLogP4.97
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine?
The IUPAC name of 6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine (CID 66955551) is 6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine.
What is the SMILES notation for 6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine?
The canonical SMILES for 6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine is FCOc1cccc(Cc2nc3c(c4c2[nH]c2ccccc24)CCCN3)c1.
What is the InChIKey of 6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine?
The InChIKey is WWVPMVZCUGWDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-13-27-15-6-3-5-14(11-15)12-19-21-20(16-7-1-2-9-18(16)25-21)17-8-4-10-24-22(17)26-19/h1-3,5-7,9,11,25H,4,8,10,12-13H2,(H,24,26).
What are the key properties of 6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine?
6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine has a molecular weight of 361.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine is sourced from PubChem (CID 66955551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).