8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride

C23H27Cl2N5O2 — CID 67234468

IUPAC8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
SMILESCOC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1.Cl.Cl
InChIInChI=1S/C23H25N5O2.2ClH/c1-29-23(11-5-13-24-14-12-23)16-30-19-7-4-6-17-9-10-18(25-21(17)19)22-27-26-20-8-2-3-15-28(20)22;;/h2-4,6-10,15,24H,5,11-14,16H2,1H3;2*1H
InChIKeyKBMIRZKDSTZESE-UHFFFAOYSA-N
MW476.41 g/mol
LogP4.33
Rot. Bonds5

About 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride

8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride (PubChem CID 67234468) has the molecular formula C23H27Cl2N5O2 and a molecular weight of 476.41 g/mol. Its IUPAC name is 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride.

Molecular Properties

Compound Name8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
PubChem CID67234468
Molecular FormulaC23H27Cl2N5O2
Molecular Weight476.41 g/mol
Exact Mass475.15
IUPAC Name8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
SMILESCOC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1.Cl.Cl
InChIInChI=1S/C23H25N5O2.2ClH/c1-29-23(11-5-13-24-14-12-23)16-30-19-7-4-6-17-9-10-18(25-21(17)19)22-27-26-20-8-2-3-15-28(20)22;;/h2-4,6-10,15,24H,5,11-14,16H2,1H3;2*1H
InChIKeyKBMIRZKDSTZESE-UHFFFAOYSA-N
XLogP4.33
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?
The IUPAC name of 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride (CID 67234468) is 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride.
What is the SMILES notation for 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?
The canonical SMILES for 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride is COC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1.Cl.Cl.
What is the InChIKey of 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?
The InChIKey is KBMIRZKDSTZESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2.2ClH/c1-29-23(11-5-13-24-14-12-23)16-30-19-7-4-6-17-9-10-18(25-21(17)19)22-27-26-20-8-2-3-15-28(20)22;;/h2-4,6-10,15,24H,5,11-14,16H2,1H3;2*1H.
What are the key properties of 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?
8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride has a molecular weight of 476.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride is sourced from PubChem (CID 67234468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).