2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline

C20H19N5O — CID 70472277

IUPAC2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline
SMILESc1ccc(CCCc2nnn(OCc3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C20H19N5O/c1-2-7-16(8-3-1)9-6-12-20-22-24-25(23-20)26-15-18-14-13-17-10-4-5-11-19(17)21-18/h1-5,7-8,10-11,13-14H,6,9,12,15H2
InChIKeyVDLUYSHGTVWCOM-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.03
Rot. Bonds7

About 2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline

2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline (PubChem CID 70472277) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline.

Molecular Properties

Compound Name2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline
PubChem CID70472277
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline
SMILESc1ccc(CCCc2nnn(OCc3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C20H19N5O/c1-2-7-16(8-3-1)9-6-12-20-22-24-25(23-20)26-15-18-14-13-17-10-4-5-11-19(17)21-18/h1-5,7-8,10-11,13-14H,6,9,12,15H2
InChIKeyVDLUYSHGTVWCOM-UHFFFAOYSA-N
XLogP3.03
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline?
The IUPAC name of 2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline (CID 70472277) is 2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline.
What is the SMILES notation for 2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline?
The canonical SMILES for 2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline is c1ccc(CCCc2nnn(OCc3ccc4ccccc4n3)n2)cc1.
What is the InChIKey of 2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline?
The InChIKey is VDLUYSHGTVWCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-7-16(8-3-1)9-6-12-20-22-24-25(23-20)26-15-18-14-13-17-10-4-5-11-19(17)21-18/h1-5,7-8,10-11,13-14H,6,9,12,15H2.
What are the key properties of 2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline?
2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline has a molecular weight of 345.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline is sourced from PubChem (CID 70472277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).