3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid

C24H29N3O3 — CID 10223113

IUPAC3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C24H29N3O3/c1-2-4-20(16-23(28)29)27-13-10-18-15-21(8-9-22(18)27)30-14-11-19-7-6-17-5-3-12-25-24(17)26-19/h6-10,13,15,20H,2-5,11-12,14,16H2,1H3,(H,25,26)(H,28,29)
InChIKeyQFEXPKRHMFCDGL-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.83
Rot. Bonds9

About 3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid

3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid (PubChem CID 10223113) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid.

Molecular Properties

Compound Name3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid
PubChem CID10223113
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C24H29N3O3/c1-2-4-20(16-23(28)29)27-13-10-18-15-21(8-9-22(18)27)30-14-11-19-7-6-17-5-3-12-25-24(17)26-19/h6-10,13,15,20H,2-5,11-12,14,16H2,1H3,(H,25,26)(H,28,29)
InChIKeyQFEXPKRHMFCDGL-UHFFFAOYSA-N
XLogP4.83
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid?
The IUPAC name of 3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid (CID 10223113) is 3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid.
What is the SMILES notation for 3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid?
The canonical SMILES for 3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid is CCCC(CC(=O)O)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.
What is the InChIKey of 3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid?
The InChIKey is QFEXPKRHMFCDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-2-4-20(16-23(28)29)27-13-10-18-15-21(8-9-22(18)27)30-14-11-19-7-6-17-5-3-12-25-24(17)26-19/h6-10,13,15,20H,2-5,11-12,14,16H2,1H3,(H,25,26)(H,28,29).
What are the key properties of 3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid?
3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid has a molecular weight of 407.51 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoic acid is sourced from PubChem (CID 10223113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).