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

C24H18N4O — CID 53393049

IUPAC4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
SMILESC=CCOc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1
InChIInChI=1S/C24H18N4O/c1-2-15-29-19-9-7-17(8-10-19)18-12-14-28-23(16-18)26-27-24(28)21-11-13-25-22-6-4-3-5-20(21)22/h2-14,16H,1,15H2
InChIKeyJFCNPPBOSKTGIB-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.18
Rot. Bonds5

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

4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline (PubChem CID 53393049) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
PubChem CID53393049
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
SMILESC=CCOc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1
InChIInChI=1S/C24H18N4O/c1-2-15-29-19-9-7-17(8-10-19)18-12-14-28-23(16-18)26-27-24(28)21-11-13-25-22-6-4-3-5-20(21)22/h2-14,16H,1,15H2
InChIKeyJFCNPPBOSKTGIB-UHFFFAOYSA-N
XLogP5.18
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
CID 53393051
4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 53393073
4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1H-pyridin-2-one
CID 53393054
4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
CID 123149440
4-naphthalen-2-ylquinoline
CID 14173372
N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine
CID 142687217
4-[4-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]quinoline
CID 122427626
4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]quinoline
CID 50981223
N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102173977
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
4-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393321
3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole
CID 67300877

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The IUPAC name of 4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline (CID 53393049) is 4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The canonical SMILES for 4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline is C=CCOc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.
What is the InChIKey of 4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The InChIKey is JFCNPPBOSKTGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-2-15-29-19-9-7-17(8-10-19)18-12-14-28-23(16-18)26-27-24(28)21-11-13-25-22-6-4-3-5-20(21)22/h2-14,16H,1,15H2.
What are the key properties of 4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline has a molecular weight of 378.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 53393049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).