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

C18H14N6O2 — CID 135358197

IUPACN-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C18H14N6O2/c25-18(22-26)14-7-5-12(6-8-14)11-24-21-17(20-23-24)16-10-9-13-3-1-2-4-15(13)19-16/h1-10,26H,11H2,(H,22,25)
InChIKeyBSSLAUBSRPDZRV-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.06
Rot. Bonds4

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

N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide (PubChem CID 135358197) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide
PubChem CID135358197
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC NameN-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C18H14N6O2/c25-18(22-26)14-7-5-12(6-8-14)11-24-21-17(20-23-24)16-10-9-13-3-1-2-4-15(13)19-16/h1-10,26H,11H2,(H,22,25)
InChIKeyBSSLAUBSRPDZRV-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-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-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
CID 135357695
N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
CID 142452243
4-[[benzyl(quinolin-2-ylmethyl)amino]methyl]-N-hydroxybenzamide
CID 137634286
4-(4-fluorophenyl)-7-[[5-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]tetrazol-2-yl]methyl]quinoline-2-carboxamide
CID 156017027
4-(4-fluorophenyl)-7-{[5-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-2H-tetrazol-2-yl]methyl}quinoline-2-carboxamide
CID 71565736
N-hydroxy-4-[(quinolin-2-ylmethylamino)methyl]benzamide
CID 137645620
4-(4-Fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide
CID 117646983
3,5-difluoro-N-hydroxy-4-[(5-quinolin-2-yltetrazol-1-yl)methyl]benzamide
CID 135357389

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide (CID 135358197) is N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2nnc(-c3ccc4ccccc4n3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide?
The InChIKey is BSSLAUBSRPDZRV-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)16-10-9-13-3-1-2-4-15(13)19-16/h1-10,26H,11H2,(H,22,25).
What are the key properties of N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide?
N-hydroxy-4-[(5-quinolin-2-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-quinolin-2-yltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 135358197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).