N,N-diethyl-5-nitroquinolin-8-amine

C13H15N3O2 — CID 2843950

IUPACN,N-diethyl-5-nitroquinolin-8-amine
SMILESCCN(CC)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C13H15N3O2/c1-3-15(4-2)12-8-7-11(16(17)18)10-6-5-9-14-13(10)12/h5-9H,3-4H2,1-2H3
InChIKeyWDZOOWQENASWEG-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.99
Rot. Bonds4

About N,N-diethyl-5-nitroquinolin-8-amine

N,N-diethyl-5-nitroquinolin-8-amine (PubChem CID 2843950) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N,N-diethyl-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN,N-diethyl-5-nitroquinolin-8-amine
PubChem CID2843950
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN,N-diethyl-5-nitroquinolin-8-amine
SMILESCCN(CC)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C13H15N3O2/c1-3-15(4-2)12-8-7-11(16(17)18)10-6-5-9-14-13(10)12/h5-9H,3-4H2,1-2H3
InChIKeyWDZOOWQENASWEG-UHFFFAOYSA-N
XLogP2.99
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[methyl-(5-nitroquinolin-8-yl)amino]acetic acid
CID 43450052
N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine
CID 133439131
2-[(5-nitroquinolin-8-yl)-prop-2-ynylamino]acetic acid
CID 79272324
N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine
CID 133376544
(5-nitroquinolin-8-yl) N,N-diethylcarbamate
CID 175460748
N,N-diethyl-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 2836612
8-(2-bromopropyl)-5-nitroquinoline
CID 63202831
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
8-(3-bromopentan-2-yl)-5-nitroquinoline
CID 63559687
8-(3-chloropentan-2-yl)-5-nitroquinoline
CID 63562340
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-nitroquinolin-8-amine
CID 55532599
5-nitroquinoline-8-carboxylic acid
CID 15405331

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-nitroquinolin-8-amine?
The IUPAC name of N,N-diethyl-5-nitroquinolin-8-amine (CID 2843950) is N,N-diethyl-5-nitroquinolin-8-amine.
What is the SMILES notation for N,N-diethyl-5-nitroquinolin-8-amine?
The canonical SMILES for N,N-diethyl-5-nitroquinolin-8-amine is CCN(CC)c1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N,N-diethyl-5-nitroquinolin-8-amine?
The InChIKey is WDZOOWQENASWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-15(4-2)12-8-7-11(16(17)18)10-6-5-9-14-13(10)12/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-nitroquinolin-8-amine?
N,N-diethyl-5-nitroquinolin-8-amine has a molecular weight of 245.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-nitroquinolin-8-amine is sourced from PubChem (CID 2843950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).