6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine

C23H26N4O5 — CID 175295319

IUPAC6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine
SMILESCOc1cc2c(Nc3cccc(C)c3)c([N+](=O)[O-])cnc2cc1OCCN1CCOCC1
InChIInChI=1S/C23H26N4O5/c1-16-4-3-5-17(12-16)25-23-18-13-21(30-2)22(14-19(18)24-15-20(23)27(28)29)32-11-8-26-6-9-31-10-7-26/h3-5,12-15H,6-11H2,1-2H3,(H,24,25)
InChIKeyHMOQWLITWZGMDI-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.91
Rot. Bonds8

About 6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine

6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine (PubChem CID 175295319) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine
PubChem CID175295319
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine
SMILESCOc1cc2c(Nc3cccc(C)c3)c([N+](=O)[O-])cnc2cc1OCCN1CCOCC1
InChIInChI=1S/C23H26N4O5/c1-16-4-3-5-17(12-16)25-23-18-13-21(30-2)22(14-19(18)24-15-20(23)27(28)29)32-11-8-26-6-9-31-10-7-26/h3-5,12-15H,6-11H2,1-2H3,(H,24,25)
InChIKeyHMOQWLITWZGMDI-UHFFFAOYSA-N
XLogP3.91
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

7-[3-[benzyl(methyl)amino]propoxy]-6-methoxy-3-nitro-N-phenylquinolin-4-amine
CID 155514346
7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine
CID 175295327
2-[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1-(3-methylphenyl)guanidine
CID 11179960
4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10834412
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
N-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenyl]benzenesulfonamide
CID 59095490
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
6-methoxy-N-(5-methyl-2-pyridinyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 142051918
4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine
CID 68999984
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
N-(3-fluorophenyl)-2-[4-[[7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 67261315

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine?
The IUPAC name of 6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine (CID 175295319) is 6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine?
The canonical SMILES for 6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine is COc1cc2c(Nc3cccc(C)c3)c([N+](=O)[O-])cnc2cc1OCCN1CCOCC1.
What is the InChIKey of 6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine?
The InChIKey is HMOQWLITWZGMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-16-4-3-5-17(12-16)25-23-18-13-21(30-2)22(14-19(18)24-15-20(23)27(28)29)32-11-8-26-6-9-31-10-7-26/h3-5,12-15H,6-11H2,1-2H3,(H,24,25).
What are the key properties of 6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine?
6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine has a molecular weight of 438.48 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine is sourced from PubChem (CID 175295319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).