N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine

C16H20N4O3 — CID 2870896

IUPACN-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCCCN2CCOCC2)c2ncccc12
InChIInChI=1S/C16H20N4O3/c21-20(22)15-5-4-14(16-13(15)3-1-6-18-16)17-7-2-8-19-9-11-23-12-10-19/h1,3-6,17H,2,7-12H2
InChIKeyMWQJTCFIZPLKNM-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.28
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine

N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine (PubChem CID 2870896) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine
PubChem CID2870896
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCCCN2CCOCC2)c2ncccc12
InChIInChI=1S/C16H20N4O3/c21-20(22)15-5-4-14(16-13(15)3-1-6-18-16)17-7-2-8-19-9-11-23-12-10-19/h1,3-6,17H,2,7-12H2
InChIKeyMWQJTCFIZPLKNM-UHFFFAOYSA-N
XLogP2.28
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine (CID 2870896) is N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine is O=[N+]([O-])c1ccc(NCCCN2CCOCC2)c2ncccc12.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine?
The InChIKey is MWQJTCFIZPLKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-20(22)15-5-4-14(16-13(15)3-1-6-18-16)17-7-2-8-19-9-11-23-12-10-19/h1,3-6,17H,2,7-12H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine?
N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine has a molecular weight of 316.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine is sourced from PubChem (CID 2870896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).