N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide

C18H14N6O2 — CID 135357695

IUPACN-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3nccc4ccccc34)n2)cc1
InChIInChI=1S/C18H14N6O2/c25-18(22-26)14-7-5-12(6-8-14)11-24-21-17(20-23-24)16-15-4-2-1-3-13(15)9-10-19-16/h1-10,26H,11H2,(H,22,25)
InChIKeyDZXJHWRZRYDOJK-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.06
Rot. Bonds4

About N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide

N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide (PubChem CID 135357695) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
PubChem CID135357695
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC NameN-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3nccc4ccccc34)n2)cc1
InChIInChI=1S/C18H14N6O2/c25-18(22-26)14-7-5-12(6-8-14)11-24-21-17(20-23-24)16-15-4-2-1-3-13(15)9-10-19-16/h1-10,26H,11H2,(H,22,25)
InChIKeyDZXJHWRZRYDOJK-UHFFFAOYSA-N
XLogP2.06
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.06
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'}

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Related Compounds

3''''-(5-Pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-carbaldehyde
CID 44395430
1-[3''''-(5-Pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-yl]-ethanone
CID 44395598
3''''-Fluoro-5''''-(5-pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-carboxylic acid amide
CID 44395645
3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide
CID 135357280
3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide
CID 135357406
N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide
CID 135357495
3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
CID 135357634
N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide
CID 135358197
N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
CID 142452243
(5-Amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone
CID 162642852
(5-Amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-ylmethanone
CID 162654991
N-hydroxy-4-[[3-[2-(4-methylphenyl)-4-pyridinyl]pyrazol-1-yl]methyl]benzamide
CID 172453527

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide (CID 135357695) is N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2nnc(-c3nccc4ccccc34)n2)cc1.
What is the InChIKey of N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide?
The InChIKey is DZXJHWRZRYDOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-18(22-26)14-7-5-12(6-8-14)11-24-21-17(20-23-24)16-15-4-2-1-3-13(15)9-10-19-16/h1-10,26H,11H2,(H,22,25).
What are the key properties of N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide?
N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide has a molecular weight of 346.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 135357695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).