5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine

C16H12N6O2 — CID 133439900

IUPAC5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccnc3ccnn23)c2ncccc12
InChIInChI=1S/C16H12N6O2/c23-22(24)14-4-3-13(16-12(14)2-1-7-18-16)19-10-11-5-8-17-15-6-9-20-21(11)15/h1-9,19H,10H2
InChIKeyPRZRYFMOYLMAHA-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.80
Rot. Bonds4

About 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine

5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine (PubChem CID 133439900) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine.

Molecular Properties

Compound Name5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine
PubChem CID133439900
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccnc3ccnn23)c2ncccc12
InChIInChI=1S/C16H12N6O2/c23-22(24)14-4-3-13(16-12(14)2-1-7-18-16)19-10-11-5-8-17-15-6-9-20-21(11)15/h1-9,19H,10H2
InChIKeyPRZRYFMOYLMAHA-UHFFFAOYSA-N
XLogP2.80
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
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

N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 60964909
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
CID 114942850
5-nitro-N-[(1-phenylpyrazol-3-yl)methyl]quinolin-8-amine
CID 133277853
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
CID 115302966
5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine
CID 133439849
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine
CID 60504130

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine?
The IUPAC name of 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine (CID 133439900) is 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine.
What is the SMILES notation for 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine?
The canonical SMILES for 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine is O=[N+]([O-])c1ccc(NCc2ccnc3ccnn23)c2ncccc12.
What is the InChIKey of 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine?
The InChIKey is PRZRYFMOYLMAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c23-22(24)14-4-3-13(16-12(14)2-1-7-18-16)19-10-11-5-8-17-15-6-9-20-21(11)15/h1-9,19H,10H2.
What are the key properties of 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine?
5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine has a molecular weight of 320.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine is sourced from PubChem (CID 133439900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).