N,6-diethyl-3-nitroquinolin-2-amine

C13H15N3O2 — CID 174878074

IUPACN,6-diethyl-3-nitroquinolin-2-amine
SMILESCCNc1nc2ccc(CC)cc2cc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O2/c1-3-9-5-6-11-10(7-9)8-12(16(17)18)13(15-11)14-4-2/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyCWZUAFWIPDVYSU-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.14
Rot. Bonds4

About N,6-diethyl-3-nitroquinolin-2-amine

N,6-diethyl-3-nitroquinolin-2-amine (PubChem CID 174878074) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N,6-diethyl-3-nitroquinolin-2-amine.

Molecular Properties

Compound NameN,6-diethyl-3-nitroquinolin-2-amine
PubChem CID174878074
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN,6-diethyl-3-nitroquinolin-2-amine
SMILESCCNc1nc2ccc(CC)cc2cc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O2/c1-3-9-5-6-11-10(7-9)8-12(16(17)18)13(15-11)14-4-2/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyCWZUAFWIPDVYSU-UHFFFAOYSA-N
XLogP3.14
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
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'}

Analyze N,6-diethyl-3-nitroquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrazin-2-amine
CID 80871590
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
6-(ethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403392
N-[(4-ethylphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 103704940
(6-ethyl-3-methylquinolin-2-yl)hydrazine;hydrochloride
CID 43866087
N-ethyl-2,4,6-trinitropyridin-3-amine
CID 71424145
3-ethyl-N,6-dipropylquinolin-2-amine
CID 63531551
N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 106900082
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469
4-ethyl-2-methylsulfanyl-1-nitrobenzene
CID 91881019
3-ethyl-8-nitroquinoline
CID 119082070
6-ethyl-1H-pyrazolo[5,4-b]quinoline
CID 865231

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-3-nitroquinolin-2-amine?
The IUPAC name of N,6-diethyl-3-nitroquinolin-2-amine (CID 174878074) is N,6-diethyl-3-nitroquinolin-2-amine.
What is the SMILES notation for N,6-diethyl-3-nitroquinolin-2-amine?
The canonical SMILES for N,6-diethyl-3-nitroquinolin-2-amine is CCNc1nc2ccc(CC)cc2cc1[N+](=O)[O-].
What is the InChIKey of N,6-diethyl-3-nitroquinolin-2-amine?
The InChIKey is CWZUAFWIPDVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-9-5-6-11-10(7-9)8-12(16(17)18)13(15-11)14-4-2/h5-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N,6-diethyl-3-nitroquinolin-2-amine?
N,6-diethyl-3-nitroquinolin-2-amine has a molecular weight of 245.28 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-3-nitroquinolin-2-amine is sourced from PubChem (CID 174878074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).