3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide

C18H12F2N6O2 — CID 135357389

IUPAC3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnnc2-c2ccc3ccccc3n2)c(F)c1
InChIInChI=1S/C18H12F2N6O2/c19-13-7-11(18(27)23-28)8-14(20)12(13)9-26-17(22-24-25-26)16-6-5-10-3-1-2-4-15(10)21-16/h1-8,28H,9H2,(H,23,27)
InChIKeyZSCIHQFQADRGED-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.33
Rot. Bonds4

About 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide

3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide (PubChem CID 135357389) has the molecular formula C18H12F2N6O2 and a molecular weight of 382.33 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide
PubChem CID135357389
Molecular FormulaC18H12F2N6O2
Molecular Weight382.33 g/mol
Exact Mass382.10
IUPAC Name3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnnc2-c2ccc3ccccc3n2)c(F)c1
InChIInChI=1S/C18H12F2N6O2/c19-13-7-11(18(27)23-28)8-14(20)12(13)9-26-17(22-24-25-26)16-6-5-10-3-1-2-4-15(10)21-16/h1-8,28H,9H2,(H,23,27)
InChIKeyZSCIHQFQADRGED-UHFFFAOYSA-N
XLogP2.33
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluorobenzyl)-N-((4-(4-cyanobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl)methyl)quinoline-2-carboxamide
CID 10142164
N-(2,4-difluorobenzyl)-N-((4-(4-cyanobenzyl)-4H-1,2,4-triazol-3-yl)methyl)quinoline-2-carboxamide
CID 9913660
(R)-(4-fluorophenyl)(8-methyl-3-(quinolin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 67452275
3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide
CID 135357280
3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
CID 135357634
N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
CID 135357695
N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide
CID 135358197
(4-fluorophenyl)(3-(8-fluoroquinolin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 53482150
(4-fluorophenyl)(3-(quinolin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 53482944
(S)-(4-fluorophenyl)(8-methyl-3-(quinolin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 67448740
(4-fluorophenyl)(8-methyl-3-(quinolin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 67448741
4-(4-Fluorophenyl)-7-[[5-(1,1,1-trifluoro-2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide
CID 89554806

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide (CID 135357389) is 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide is O=C(NO)c1cc(F)c(Cn2nnnc2-c2ccc3ccccc3n2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide?
The InChIKey is ZSCIHQFQADRGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6O2/c19-13-7-11(18(27)23-28)8-14(20)12(13)9-26-17(22-24-25-26)16-6-5-10-3-1-2-4-15(10)21-16/h1-8,28H,9H2,(H,23,27).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide has a molecular weight of 382.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 135357389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).