8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine

C11H9N7O2 — CID 83066870

IUPAC8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine
SMILESO=[N+]([O-])c1cccc2c(NCc3nn[nH]n3)ccnc12
InChIInChI=1S/C11H9N7O2/c19-18(20)9-3-1-2-7-8(4-5-12-11(7)9)13-6-10-14-16-17-15-10/h1-5H,6H2,(H,12,13)(H,14,15,16,17)
InChIKeyDXKWCCJOYJWOKX-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.27
Rot. Bonds4

About 8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine

8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine (PubChem CID 83066870) has the molecular formula C11H9N7O2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine
PubChem CID83066870
Molecular FormulaC11H9N7O2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine
SMILESO=[N+]([O-])c1cccc2c(NCc3nn[nH]n3)ccnc12
InChIInChI=1S/C11H9N7O2/c19-18(20)9-3-1-2-7-8(4-5-12-11(7)9)13-6-10-14-16-17-15-10/h1-5H,6H2,(H,12,13)(H,14,15,16,17)
InChIKeyDXKWCCJOYJWOKX-UHFFFAOYSA-N
XLogP1.27
TPSA122.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-4-amine
CID 83066852
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-nitroquinolin-4-amine
CID 106373840
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
N-but-3-enyl-8-nitroquinolin-4-amine
CID 113465769
N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
4-[(8-nitroquinolin-4-yl)amino]butanoic acid
CID 83060998
5-[[(8-nitroquinolin-4-yl)amino]methyl]pyrrolidin-2-one
CID 83066906
8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
3-[2-[(8-nitroquinolin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106307225
2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106290733
8-nitro-N-(thian-2-ylmethyl)quinolin-4-amine
CID 83067049

Frequently Asked Questions

What is the IUPAC name of 8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine?
The IUPAC name of 8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine (CID 83066870) is 8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine?
The canonical SMILES for 8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine is O=[N+]([O-])c1cccc2c(NCc3nn[nH]n3)ccnc12.
What is the InChIKey of 8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine?
The InChIKey is DXKWCCJOYJWOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O2/c19-18(20)9-3-1-2-7-8(4-5-12-11(7)9)13-6-10-14-16-17-15-10/h1-5H,6H2,(H,12,13)(H,14,15,16,17).
What are the key properties of 8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine?
8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine has a molecular weight of 271.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 83066870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).