3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine

C30H27N3O2 — CID 143103072

IUPAC3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine
SMILESCC1=NCCc2ncc(-c3cc(OCCCc4c[nH]c5ccccc45)ccc3-c3ccoc3)cc21
InChIInChI=1S/C30H27N3O2/c1-20-27-15-23(18-33-30(27)10-12-31-20)28-16-24(8-9-25(28)22-11-14-34-19-22)35-13-4-5-21-17-32-29-7-3-2-6-26(21)29/h2-3,6-9,11,14-19,32H,4-5,10,12-13H2,1H3
InChIKeyRGKVKOIEXSBGIX-UHFFFAOYSA-N
MW461.57 g/mol
LogP6.87
Rot. Bonds7

About 3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine

3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine (PubChem CID 143103072) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine.

Molecular Properties

Compound Name3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine
PubChem CID143103072
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC Name3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine
SMILESCC1=NCCc2ncc(-c3cc(OCCCc4c[nH]c5ccccc45)ccc3-c3ccoc3)cc21
InChIInChI=1S/C30H27N3O2/c1-20-27-15-23(18-33-30(27)10-12-31-20)28-16-24(8-9-25(28)22-11-14-34-19-22)35-13-4-5-21-17-32-29-7-3-2-6-26(21)29/h2-3,6-9,11,14-19,32H,4-5,10,12-13H2,1H3
InChIKeyRGKVKOIEXSBGIX-UHFFFAOYSA-N
XLogP6.87
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine?
The IUPAC name of 3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine (CID 143103072) is 3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine.
What is the SMILES notation for 3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine?
The canonical SMILES for 3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine is CC1=NCCc2ncc(-c3cc(OCCCc4c[nH]c5ccccc45)ccc3-c3ccoc3)cc21.
What is the InChIKey of 3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine?
The InChIKey is RGKVKOIEXSBGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O2/c1-20-27-15-23(18-33-30(27)10-12-31-20)28-16-24(8-9-25(28)22-11-14-34-19-22)35-13-4-5-21-17-32-29-7-3-2-6-26(21)29/h2-3,6-9,11,14-19,32H,4-5,10,12-13H2,1H3.
What are the key properties of 3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine?
3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine has a molecular weight of 461.57 g/mol, XLogP of 6.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-3-yl)-5-[3-(1H-indol-3-yl)propoxy]phenyl]-5-methyl-7,8-dihydro-1,6-naphthyridine is sourced from PubChem (CID 143103072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).