1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine

C14H16BrN3O2 — CID 63200163

IUPAC1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1c([N+](=O)[O-])cnc2ccc(Br)cc12
InChIInChI=1S/C14H16BrN3O2/c1-3-16-9(2)6-12-11-7-10(15)4-5-13(11)17-8-14(12)18(19)20/h4-5,7-9,16H,3,6H2,1-2H3
InChIKeyUMIMJRXIPMLWGK-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.45
Rot. Bonds5

About 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine

1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine (PubChem CID 63200163) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine
PubChem CID63200163
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1c([N+](=O)[O-])cnc2ccc(Br)cc12
InChIInChI=1S/C14H16BrN3O2/c1-3-16-9(2)6-12-11-7-10(15)4-5-13(11)17-8-14(12)18(19)20/h4-5,7-9,16H,3,6H2,1-2H3
InChIKeyUMIMJRXIPMLWGK-UHFFFAOYSA-N
XLogP3.45
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.45
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 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-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

1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine
CID 63200316
6-bromo-4-(2-chloro-3,3-dimethylbutyl)-3-nitroquinoline
CID 63530544
6-bromo-4-(bromomethyl)-3-nitroquinoline
CID 138454031
2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine
CID 63353378
2-(6-bromo-3-nitroquinolin-4-yl)acetic acid
CID 104571308
N-(6-bromo-3-nitroquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664666
1-(5-bromo-3-nitro-2-pyridinyl)-N-ethylpropan-2-amine
CID 63200511
3-(6-bromo-3-nitroquinolin-4-yl)butan-2-ol
CID 55161443
2-[(6-bromo-3-nitroquinolin-4-yl)amino]propanoic acid
CID 43621517
6-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitroquinolin-4-amine
CID 138958118
[2-[4-[(6-bromo-3-nitroquinolin-4-yl)amino]pentoxy]-5-fluorophenyl] N-ethylcarbamate
CID 175001982
N-(6-bromo-3-nitroquinolin-4-yl)-3,5-dimethyl-1,2-oxazol-4-amine
CID 59620045

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine (CID 63200163) is 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine is CCNC(C)Cc1c([N+](=O)[O-])cnc2ccc(Br)cc12.
What is the InChIKey of 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine?
The InChIKey is UMIMJRXIPMLWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-3-16-9(2)6-12-11-7-10(15)4-5-13(11)17-8-14(12)18(19)20/h4-5,7-9,16H,3,6H2,1-2H3.
What are the key properties of 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine?
1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine has a molecular weight of 338.21 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 63200163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).