4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline

C24H20N4O — CID 53393047

IUPAC4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
SMILESCC(C)Oc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1
InChIInChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-12-14-28-23(15-18)26-27-24(28)21-11-13-25-22-6-4-3-5-20(21)22/h3-16H,1-2H3
InChIKeyIHNRIDANXOOCTD-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.40
Rot. Bonds4

About 4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline

4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline (PubChem CID 53393047) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
PubChem CID53393047
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
SMILESCC(C)Oc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1
InChIInChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-12-14-28-23(15-18)26-27-24(28)21-11-13-25-22-6-4-3-5-20(21)22/h3-16H,1-2H3
InChIKeyIHNRIDANXOOCTD-UHFFFAOYSA-N
XLogP5.40
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The IUPAC name of 4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline (CID 53393047) is 4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The canonical SMILES for 4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline is CC(C)Oc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.
What is the InChIKey of 4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The InChIKey is IHNRIDANXOOCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-12-14-28-23(15-18)26-27-24(28)21-11-13-25-22-6-4-3-5-20(21)22/h3-16H,1-2H3.
What are the key properties of 4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline has a molecular weight of 380.45 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 53393047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).