N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide

C15H20N4O3 — CID 6711800

IUPACN,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide
SMILESCc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])ccnc12
InChIInChI=1S/C15H20N4O3/c1-11-5-6-13(18(20)21)14-12(7-9-17-15(11)14)16-8-4-10-19(2,3)22/h5-7,9H,4,8,10H2,1-3H3,(H,16,17)
InChIKeyRYBRSYXJJMOYNC-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.83
Rot. Bonds6

About N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide

N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide (PubChem CID 6711800) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide
PubChem CID6711800
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide
SMILESCc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])ccnc12
InChIInChI=1S/C15H20N4O3/c1-11-5-6-13(18(20)21)14-12(7-9-17-15(11)14)16-8-4-10-19(2,3)22/h5-7,9H,4,8,10H2,1-3H3,(H,16,17)
InChIKeyRYBRSYXJJMOYNC-UHFFFAOYSA-N
XLogP2.83
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide 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,N-dimethyl-3-[(5-nitroquinolin-4-yl)amino]propan-1-amine oxide;chloride;hydrochloride
CID 54608931
4-N-[3-(dimethylamino)propyl]-8-N-methyl-5-nitroquinoline-4,8-diamine;hydrochloride
CID 5388836
5,8-dimethyl-N-propylquinolin-4-amine
CID 62191878
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
N-methylmethanamine;5-nitro-N-propylquinolin-4-amine
CID 69400759
N-(3-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307
4-[(8-nitroquinolin-4-yl)amino]butanoic acid
CID 83060998
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine
CID 13133598
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239
N-[2-(2-methylphenoxy)ethyl]-5-nitroquinolin-8-amine
CID 3119297

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide?
The IUPAC name of N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide (CID 6711800) is N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide.
What is the SMILES notation for N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide?
The canonical SMILES for N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide is Cc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])ccnc12.
What is the InChIKey of N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide?
The InChIKey is RYBRSYXJJMOYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11-5-6-13(18(20)21)14-12(7-9-17-15(11)14)16-8-4-10-19(2,3)22/h5-7,9H,4,8,10H2,1-3H3,(H,16,17).
What are the key properties of N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide?
N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide has a molecular weight of 304.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(8-methyl-5-nitroquinolin-4-yl)amino]propan-1-amine oxide is sourced from PubChem (CID 6711800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).