5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine

C17H21N3O3 — CID 133439270

IUPAC5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine
SMILESCC1(C)CC(Nc2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)O1
InChIInChI=1S/C17H21N3O3/c1-16(2)10-14(17(3,4)23-16)19-12-7-8-13(20(21)22)11-6-5-9-18-15(11)12/h5-9,14,19H,10H2,1-4H3
InChIKeyFGSUWPCAWZFPBZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.90
Rot. Bonds3

About 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine

5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine (PubChem CID 133439270) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine.

Molecular Properties

Compound Name5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine
PubChem CID133439270
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine
SMILESCC1(C)CC(Nc2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)O1
InChIInChI=1S/C17H21N3O3/c1-16(2)10-14(17(3,4)23-16)19-12-7-8-13(20(21)22)11-6-5-9-18-15(11)12/h5-9,14,19H,10H2,1-4H3
InChIKeyFGSUWPCAWZFPBZ-UHFFFAOYSA-N
XLogP3.90
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 46238574
N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine
CID 133399168
N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine
CID 103704192
N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 31655000
N-(3-ethylsulfinylcyclohexyl)-5-nitroquinolin-8-amine
CID 133338025
N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
CID 60723743
1-cyclopropyl-4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 133357470
N-(2,5-dimethylpyrrol-1-yl)-5-nitroquinolin-8-amine
CID 79108207
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine
CID 60504130
N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 133348605

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine?
The IUPAC name of 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine (CID 133439270) is 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine.
What is the SMILES notation for 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine?
The canonical SMILES for 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine is CC1(C)CC(Nc2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)O1.
What is the InChIKey of 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine?
The InChIKey is FGSUWPCAWZFPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-16(2)10-14(17(3,4)23-16)19-12-7-8-13(20(21)22)11-6-5-9-18-15(11)12/h5-9,14,19H,10H2,1-4H3.
What are the key properties of 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine?
5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine has a molecular weight of 315.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine is sourced from PubChem (CID 133439270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).