(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine

C23H27N5O — CID 58303770

IUPAC(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine
SMILESCCCC(Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](CC)CN
InChIInChI=1S/C23H27N5O/c1-3-8-19(16(4-2)15-24)29-20-10-7-9-17-12-13-18(25-22(17)20)23-27-26-21-11-5-6-14-28(21)23/h5-7,9-14,16,19H,3-4,8,15,24H2,1-2H3/t16-,19?/m0/s1
InChIKeyUZUNZLBTOKJXFM-UCFFOFKASA-N
MW389.50 g/mol
LogP4.48
Rot. Bonds8

About (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine

(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine (PubChem CID 58303770) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine.

Molecular Properties

Compound Name(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine
PubChem CID58303770
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine
SMILESCCCC(Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](CC)CN
InChIInChI=1S/C23H27N5O/c1-3-8-19(16(4-2)15-24)29-20-10-7-9-17-12-13-18(25-22(17)20)23-27-26-21-11-5-6-14-28(21)23/h5-7,9-14,16,19H,3-4,8,15,24H2,1-2H3/t16-,19?/m0/s1
InChIKeyUZUNZLBTOKJXFM-UCFFOFKASA-N
XLogP4.48
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine 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 (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine?
The IUPAC name of (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine (CID 58303770) is (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine.
What is the SMILES notation for (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine?
The canonical SMILES for (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine is CCCC(Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](CC)CN.
What is the InChIKey of (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine?
The InChIKey is UZUNZLBTOKJXFM-UCFFOFKASA-N. The full InChI is InChI=1S/C23H27N5O/c1-3-8-19(16(4-2)15-24)29-20-10-7-9-17-12-13-18(25-22(17)20)23-27-26-21-11-5-6-14-28(21)23/h5-7,9-14,16,19H,3-4,8,15,24H2,1-2H3/t16-,19?/m0/s1.
What are the key properties of (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine?
(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine has a molecular weight of 389.50 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine is sourced from PubChem (CID 58303770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).