6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine

C15H17N3O3 — CID 43534201

IUPAC6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine
SMILESCC(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CCCO1
InChIInChI=1S/C15H17N3O3/c1-10(14-3-2-8-21-14)16-15-7-4-11-9-12(18(19)20)5-6-13(11)17-15/h4-7,9-10,14H,2-3,8H2,1H3,(H,16,17)
InChIKeyDAOMWTIZEHUVIQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.12
Rot. Bonds4

About 6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine

6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine (PubChem CID 43534201) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine.

Molecular Properties

Compound Name6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine
PubChem CID43534201
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine
SMILESCC(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CCCO1
InChIInChI=1S/C15H17N3O3/c1-10(14-3-2-8-21-14)16-15-7-4-11-9-12(18(19)20)5-6-13(11)17-15/h4-7,9-10,14H,2-3,8H2,1H3,(H,16,17)
InChIKeyDAOMWTIZEHUVIQ-UHFFFAOYSA-N
XLogP3.12
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine?
The IUPAC name of 6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine (CID 43534201) is 6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine.
What is the SMILES notation for 6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine?
The canonical SMILES for 6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine is CC(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CCCO1.
What is the InChIKey of 6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine?
The InChIKey is DAOMWTIZEHUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(14-3-2-8-21-14)16-15-7-4-11-9-12(18(19)20)5-6-13(11)17-15/h4-7,9-10,14H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine?
6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-[1-(oxolan-2-yl)ethyl]quinolin-2-amine is sourced from PubChem (CID 43534201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).