9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline

C12H14N4O — CID 154134894

IUPAC9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline
SMILESCCOCc1cccc2c1-n1nnnc1CC2
InChIInChI=1S/C12H14N4O/c1-2-17-8-10-5-3-4-9-6-7-11-13-14-15-16(11)12(9)10/h3-5H,2,6-8H2,1H3
InChIKeyQTSBMMGMHDODNT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.30
Rot. Bonds3

About 9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline

9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline (PubChem CID 154134894) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline
PubChem CID154134894
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline
SMILESCCOCc1cccc2c1-n1nnnc1CC2
InChIInChI=1S/C12H14N4O/c1-2-17-8-10-5-3-4-9-6-7-11-13-14-15-16(11)12(9)10/h3-5H,2,6-8H2,1H3
InChIKeyQTSBMMGMHDODNT-UHFFFAOYSA-N
XLogP1.30
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline?
The IUPAC name of 9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline (CID 154134894) is 9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline.
What is the SMILES notation for 9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline?
The canonical SMILES for 9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline is CCOCc1cccc2c1-n1nnnc1CC2.
What is the InChIKey of 9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline?
The InChIKey is QTSBMMGMHDODNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-17-8-10-5-3-4-9-6-7-11-13-14-15-16(11)12(9)10/h3-5H,2,6-8H2,1H3.
What are the key properties of 9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline?
9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline has a molecular weight of 230.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(ethoxymethyl)-4,5-dihydrotetrazolo[1,5-a]quinoline is sourced from PubChem (CID 154134894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).