2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline

C15H16N4O — CID 155917397

IUPAC2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline
SMILESCCCn1ncnc1-c1cc2ccccc2nc1OC
InChIInChI=1S/C15H16N4O/c1-3-8-19-14(16-10-17-19)12-9-11-6-4-5-7-13(11)18-15(12)20-2/h4-7,9-10H,3,8H2,1-2H3
InChIKeyATRDGPSLWQVRCK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.91
Rot. Bonds4

About 2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline

2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline (PubChem CID 155917397) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline.

Molecular Properties

Compound Name2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline
PubChem CID155917397
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline
SMILESCCCn1ncnc1-c1cc2ccccc2nc1OC
InChIInChI=1S/C15H16N4O/c1-3-8-19-14(16-10-17-19)12-9-11-6-4-5-7-13(11)18-15(12)20-2/h4-7,9-10H,3,8H2,1-2H3
InChIKeyATRDGPSLWQVRCK-UHFFFAOYSA-N
XLogP2.91
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline?
The IUPAC name of 2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline (CID 155917397) is 2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline.
What is the SMILES notation for 2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline?
The canonical SMILES for 2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline is CCCn1ncnc1-c1cc2ccccc2nc1OC.
What is the InChIKey of 2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline?
The InChIKey is ATRDGPSLWQVRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-8-19-14(16-10-17-19)12-9-11-6-4-5-7-13(11)18-15(12)20-2/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline?
2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline has a molecular weight of 268.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline is sourced from PubChem (CID 155917397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).