N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine

C23H26N4O3 — CID 60504130

IUPACN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine
SMILESCC1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)CC(C)O1
InChIInChI=1S/C23H26N4O3/c1-16-13-26(14-17(2)30-16)15-19-7-5-18(6-8-19)12-25-21-9-10-22(27(28)29)20-4-3-11-24-23(20)21/h3-11,16-17,25H,12-15H2,1-2H3
InChIKeyXFKOAZHYGRMTNE-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.36
Rot. Bonds6

About N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine (PubChem CID 60504130) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine
PubChem CID60504130
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine
SMILESCC1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)CC(C)O1
InChIInChI=1S/C23H26N4O3/c1-16-13-26(14-17(2)30-16)15-19-7-5-18(6-8-19)12-25-21-9-10-22(27(28)29)20-4-3-11-24-23(20)21/h3-11,16-17,25H,12-15H2,1-2H3
InChIKeyXFKOAZHYGRMTNE-UHFFFAOYSA-N
XLogP4.36
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 60964909
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine
CID 133439900
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
CID 114942850
5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine
CID 133439270
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine
CID 103989717
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine?
The IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine (CID 60504130) is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine.
What is the SMILES notation for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine?
The canonical SMILES for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine is CC1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)CC(C)O1.
What is the InChIKey of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine?
The InChIKey is XFKOAZHYGRMTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-13-26(14-17(2)30-16)15-19-7-5-18(6-8-19)12-25-21-9-10-22(27(28)29)20-4-3-11-24-23(20)21/h3-11,16-17,25H,12-15H2,1-2H3.
What are the key properties of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine?
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine has a molecular weight of 406.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine is sourced from PubChem (CID 60504130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).