5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine

C15H17N3O3 — CID 62350492

IUPAC5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCC2CCOCC2)c2ncccc12
InChIInChI=1S/C15H17N3O3/c19-18(20)14-4-3-13(15-12(14)2-1-7-16-15)17-10-11-5-8-21-9-6-11/h1-4,7,11,17H,5-6,8-10H2
InChIKeyGOZHLQNKYXDXEG-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.98
Rot. Bonds4

About 5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine

5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine (PubChem CID 62350492) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine.

Molecular Properties

Compound Name5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
PubChem CID62350492
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCC2CCOCC2)c2ncccc12
InChIInChI=1S/C15H17N3O3/c19-18(20)14-4-3-13(15-12(14)2-1-7-16-15)17-10-11-5-8-21-9-6-11/h1-4,7,11,17H,5-6,8-10H2
InChIKeyGOZHLQNKYXDXEG-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide
CID 133441769
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-nitroquinolin-8-amine
CID 71934671
N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-nitroquinolin-8-amine
CID 97064167
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522
5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine
CID 47280331
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
CID 60723743

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine?
The IUPAC name of 5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine (CID 62350492) is 5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine.
What is the SMILES notation for 5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine?
The canonical SMILES for 5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine is O=[N+]([O-])c1ccc(NCC2CCOCC2)c2ncccc12.
What is the InChIKey of 5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine?
The InChIKey is GOZHLQNKYXDXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-18(20)14-4-3-13(15-12(14)2-1-7-16-15)17-10-11-5-8-21-9-6-11/h1-4,7,11,17H,5-6,8-10H2.
What are the key properties of 5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine?
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine has a molecular weight of 287.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine is sourced from PubChem (CID 62350492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).