1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline

C17H14FN5 — CID 175747617

IUPAC1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline
SMILESFc1ccc(CN2CC(c3nn[nH]n3)=Cc3ccccc32)cc1
InChIInChI=1S/C17H14FN5/c18-15-7-5-12(6-8-15)10-23-11-14(17-19-21-22-20-17)9-13-3-1-2-4-16(13)23/h1-9H,10-11H2,(H,19,20,21,22)
InChIKeyCCUQLHWTLMBUHV-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.90
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline

1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline (PubChem CID 175747617) has the molecular formula C17H14FN5 and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline
PubChem CID175747617
Molecular FormulaC17H14FN5
Molecular Weight307.33 g/mol
Exact Mass307.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline
SMILESFc1ccc(CN2CC(c3nn[nH]n3)=Cc3ccccc32)cc1
InChIInChI=1S/C17H14FN5/c18-15-7-5-12(6-8-15)10-23-11-14(17-19-21-22-20-17)9-13-3-1-2-4-16(13)23/h1-9H,10-11H2,(H,19,20,21,22)
InChIKeyCCUQLHWTLMBUHV-UHFFFAOYSA-N
XLogP2.90
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline (CID 175747617) is 1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline is Fc1ccc(CN2CC(c3nn[nH]n3)=Cc3ccccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline?
The InChIKey is CCUQLHWTLMBUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5/c18-15-7-5-12(6-8-15)10-23-11-14(17-19-21-22-20-17)9-13-3-1-2-4-16(13)23/h1-9H,10-11H2,(H,19,20,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline?
1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline has a molecular weight of 307.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-quinoline is sourced from PubChem (CID 175747617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).