5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine

C14H15N3O3 — CID 47280331

IUPAC5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCC2CCOC2)ccc2ncccc12
InChIInChI=1S/C14H15N3O3/c18-17(19)14-11-2-1-6-15-12(11)3-4-13(14)16-8-10-5-7-20-9-10/h1-4,6,10,16H,5,7-9H2
InChIKeyQYDACIOWBLMJKB-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.59
Rot. Bonds4

About 5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine

5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine (PubChem CID 47280331) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine.

Molecular Properties

Compound Name5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine
PubChem CID47280331
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCC2CCOC2)ccc2ncccc12
InChIInChI=1S/C14H15N3O3/c18-17(19)14-11-2-1-6-15-12(11)3-4-13(14)16-8-10-5-7-20-9-10/h1-4,6,10,16H,5,7-9H2
InChIKeyQYDACIOWBLMJKB-UHFFFAOYSA-N
XLogP2.59
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.59
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-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine
CID 62540611
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
CID 104972848
N-(1,4-dithian-2-ylmethyl)-5-nitroquinolin-6-amine
CID 115685346
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
CID 51117035
N'-(5-nitroquinolin-6-yl)-N-phenylpropane-1,3-diamine
CID 86938939
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine?
The IUPAC name of 5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine (CID 47280331) is 5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine.
What is the SMILES notation for 5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine?
The canonical SMILES for 5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine is O=[N+]([O-])c1c(NCC2CCOC2)ccc2ncccc12.
What is the InChIKey of 5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine?
The InChIKey is QYDACIOWBLMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-17(19)14-11-2-1-6-15-12(11)3-4-13(14)16-8-10-5-7-20-9-10/h1-4,6,10,16H,5,7-9H2.
What are the key properties of 5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine?
5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine has a molecular weight of 273.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine is sourced from PubChem (CID 47280331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).