6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine

C15H15N3O3 — CID 80611490

IUPAC6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NC3CC4CCC3O4)ccc2c1
InChIInChI=1S/C15H15N3O3/c19-18(20)10-2-4-12-9(7-10)1-6-15(16-12)17-13-8-11-3-5-14(13)21-11/h1-2,4,6-7,11,13-14H,3,5,8H2,(H,16,17)
InChIKeyJDVDNCNHVHIESL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.87
Rot. Bonds3

About 6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine

6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine (PubChem CID 80611490) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine.

Molecular Properties

Compound Name6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine
PubChem CID80611490
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NC3CC4CCC3O4)ccc2c1
InChIInChI=1S/C15H15N3O3/c19-18(20)10-2-4-12-9(7-10)1-6-15(16-12)17-13-8-11-3-5-14(13)21-11/h1-2,4,6-7,11,13-14H,3,5,8H2,(H,16,17)
InChIKeyJDVDNCNHVHIESL-UHFFFAOYSA-N
XLogP2.87
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.87
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

N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine
CID 133473708
N-(2,4-dinitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611481
4-nitro-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)benzoic acid
CID 80716181
N-[(4S)-4-methoxypyrrolidin-3-yl]-6-nitroquinolin-2-amine
CID 43598911
2-bromo-5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80609434
N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine
CID 133378444
N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80926792
N-[(2,4-dinitrophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715886
3-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 133420028
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine
CID 68628643
2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid
CID 62697311

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine?
The IUPAC name of 6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine (CID 80611490) is 6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine.
What is the SMILES notation for 6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine?
The canonical SMILES for 6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine is O=[N+]([O-])c1ccc2nc(NC3CC4CCC3O4)ccc2c1.
What is the InChIKey of 6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine?
The InChIKey is JDVDNCNHVHIESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-18(20)10-2-4-12-9(7-10)1-6-15(16-12)17-13-8-11-3-5-14(13)21-11/h1-2,4,6-7,11,13-14H,3,5,8H2,(H,16,17).
What are the key properties of 6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine?
6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine has a molecular weight of 285.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine is sourced from PubChem (CID 80611490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).