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

C21H21N5O — CID 58303651

IUPAC4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine
SMILESNC1CCC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIInChI=1S/C21H21N5O/c22-15-8-10-16(11-9-15)27-18-5-3-4-14-7-12-17(23-20(14)18)21-25-24-19-6-1-2-13-26(19)21/h1-7,12-13,15-16H,8-11,22H2
InChIKeyQFYWUMPWXIJTRE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.59
Rot. Bonds3

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

4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine (PubChem CID 58303651) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine
PubChem CID58303651
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine
SMILESNC1CCC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIInChI=1S/C21H21N5O/c22-15-8-10-16(11-9-15)27-18-5-3-4-14-7-12-17(23-20(14)18)21-25-24-19-6-1-2-13-26(19)21/h1-7,12-13,15-16H,8-11,22H2
InChIKeyQFYWUMPWXIJTRE-UHFFFAOYSA-N
XLogP3.59
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine?
The IUPAC name of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine (CID 58303651) is 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine.
What is the SMILES notation for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine?
The canonical SMILES for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine is NC1CCC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1.
What is the InChIKey of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine?
The InChIKey is QFYWUMPWXIJTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-15-8-10-16(11-9-15)27-18-5-3-4-14-7-12-17(23-20(14)18)21-25-24-19-6-1-2-13-26(19)21/h1-7,12-13,15-16H,8-11,22H2.
What are the key properties of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine?
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine has a molecular weight of 359.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxycyclohexan-1-amine is sourced from PubChem (CID 58303651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).