7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline

C16H13FN4O — CID 71495546

IUPAC7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline
SMILESFc1ccc(COc2ccc3c(c2)CCc2nnnn2-3)cc1
InChIInChI=1S/C16H13FN4O/c17-13-4-1-11(2-5-13)10-22-14-6-7-15-12(9-14)3-8-16-18-19-20-21(15)16/h1-2,4-7,9H,3,8,10H2
InChIKeyMSAPZSSRQHJGJT-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.48
Rot. Bonds3

About 7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline

7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline (PubChem CID 71495546) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline
PubChem CID71495546
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline
SMILESFc1ccc(COc2ccc3c(c2)CCc2nnnn2-3)cc1
InChIInChI=1S/C16H13FN4O/c17-13-4-1-11(2-5-13)10-22-14-6-7-15-12(9-14)3-8-16-18-19-20-21(15)16/h1-2,4-7,9H,3,8,10H2
InChIKeyMSAPZSSRQHJGJT-UHFFFAOYSA-N
XLogP2.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline (CID 71495546) is 7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline is Fc1ccc(COc2ccc3c(c2)CCc2nnnn2-3)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline?
The InChIKey is MSAPZSSRQHJGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-13-4-1-11(2-5-13)10-22-14-6-7-15-12(9-14)3-8-16-18-19-20-21(15)16/h1-2,4-7,9H,3,8,10H2.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline?
7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline has a molecular weight of 296.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-4,5-dihydrotetrazolo[1,5-a]quinoline is sourced from PubChem (CID 71495546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).