3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol

C16H13N5O — CID 135410321

IUPAC3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol
SMILESOC1=C(c2nnnn2-c2ccccc2)CNc2ccccc21
InChIInChI=1S/C16H13N5O/c22-15-12-8-4-5-9-14(12)17-10-13(15)16-18-19-20-21(16)11-6-2-1-3-7-11/h1-9,17,22H,10H2
InChIKeyYIXFHTCQUPLZOQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.51
Rot. Bonds2

About 3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol

3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol (PubChem CID 135410321) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol.

Molecular Properties

Compound Name3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol
PubChem CID135410321
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol
SMILESOC1=C(c2nnnn2-c2ccccc2)CNc2ccccc21
InChIInChI=1S/C16H13N5O/c22-15-12-8-4-5-9-14(12)17-10-13(15)16-18-19-20-21(16)11-6-2-1-3-7-11/h1-9,17,22H,10H2
InChIKeyYIXFHTCQUPLZOQ-UHFFFAOYSA-N
XLogP2.51
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-dihydroquinolin-4-ol
CID 135407192
1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
CID 57225080
5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole
CID 19594090
2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353418
2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide
CID 122566812
5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 135885604
1,5-diphenyltetrazole;2-methyl-1,3-thiazole
CID 175112675
7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one
CID 70472017
1-phenyltetrazole-5-selenol
CID 173399228
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine
CID 139677860
2-[5-phenyl-4-(1-phenyltetrazol-5-yl)pyrazol-1-yl]pyridine
CID 134098602

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol?
The IUPAC name of 3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol (CID 135410321) is 3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol.
What is the SMILES notation for 3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol?
The canonical SMILES for 3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol is OC1=C(c2nnnn2-c2ccccc2)CNc2ccccc21.
What is the InChIKey of 3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol?
The InChIKey is YIXFHTCQUPLZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c22-15-12-8-4-5-9-14(12)17-10-13(15)16-18-19-20-21(16)11-6-2-1-3-7-11/h1-9,17,22H,10H2.
What are the key properties of 3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol?
3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol has a molecular weight of 291.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol is sourced from PubChem (CID 135410321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).