3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol

C17H15N5O — CID 135407192

IUPAC3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol
SMILESCc1ccc(-n2nnnc2C2=C(O)c3ccccc3NC2)cc1
InChIInChI=1S/C17H15N5O/c1-11-6-8-12(9-7-11)22-17(19-20-21-22)14-10-18-15-5-3-2-4-13(15)16(14)23/h2-9,18,23H,10H2,1H3
InChIKeyGZMCICBSOVIDOT-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.82
Rot. Bonds2

About 3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol

3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol (PubChem CID 135407192) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol
PubChem CID135407192
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol
SMILESCc1ccc(-n2nnnc2C2=C(O)c3ccccc3NC2)cc1
InChIInChI=1S/C17H15N5O/c1-11-6-8-12(9-7-11)22-17(19-20-21-22)14-10-18-15-5-3-2-4-13(15)16(14)23/h2-9,18,23H,10H2,1H3
InChIKeyGZMCICBSOVIDOT-UHFFFAOYSA-N
XLogP2.82
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol?
The IUPAC name of 3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol (CID 135407192) is 3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol.
What is the SMILES notation for 3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol?
The canonical SMILES for 3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol is Cc1ccc(-n2nnnc2C2=C(O)c3ccccc3NC2)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol?
The InChIKey is GZMCICBSOVIDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-6-8-12(9-7-11)22-17(19-20-21-22)14-10-18-15-5-3-2-4-13(15)16(14)23/h2-9,18,23H,10H2,1H3.
What are the key properties of 3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol?
3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol has a molecular weight of 305.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol is sourced from PubChem (CID 135407192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).