N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine

C19H19N3O4 — CID 150249163

IUPACN-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine
SMILESCOCOc1ccc(CNc2c([N+](=O)[O-])cnc3ccccc23)cc1C
InChIInChI=1S/C19H19N3O4/c1-13-9-14(7-8-18(13)26-12-25-2)10-21-19-15-5-3-4-6-16(15)20-11-17(19)22(23)24/h3-9,11H,10,12H2,1-2H3,(H,20,21)
InChIKeyFZEBJPFHSSZSEQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.05
Rot. Bonds7

About N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine

N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine (PubChem CID 150249163) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine
PubChem CID150249163
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine
SMILESCOCOc1ccc(CNc2c([N+](=O)[O-])cnc3ccccc23)cc1C
InChIInChI=1S/C19H19N3O4/c1-13-9-14(7-8-18(13)26-12-25-2)10-21-19-15-5-3-4-6-16(15)20-11-17(19)22(23)24/h3-9,11H,10,12H2,1-2H3,(H,20,21)
InChIKeyFZEBJPFHSSZSEQ-UHFFFAOYSA-N
XLogP4.05
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-nitroquinolin-4-yl)amino]methyl]phenol
CID 171398102
N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine
CID 104762572
[3-[[(3-nitroquinolin-4-yl)amino]methyl]phenyl]carbamic acid
CID 174160363
N-[(1-methylpyrazol-3-yl)methyl]-3-nitroquinolin-4-amine
CID 103964134
N-[(4-ethoxy-3-methylphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339278
7-bromo-N-[(4-methylphenyl)methyl]-3-nitroquinolin-4-amine
CID 173202822
N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine
CID 103964097
N-(1-methoxypropyl)-3-nitroquinolin-4-amine
CID 67837777
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
[2,2-dimethyl-3-[(3-nitroquinolin-4-yl)amino]propyl] 4-methylbenzenesulfonate
CID 86628406
N-(2-bromoprop-2-enyl)-3-nitroquinolin-4-amine
CID 113465098
2-methyl-2-N-(3-nitroquinolin-4-yl)propane-1,2-diamine
CID 68820625

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine?
The IUPAC name of N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine (CID 150249163) is N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine.
What is the SMILES notation for N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine?
The canonical SMILES for N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine is COCOc1ccc(CNc2c([N+](=O)[O-])cnc3ccccc23)cc1C.
What is the InChIKey of N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine?
The InChIKey is FZEBJPFHSSZSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-9-14(7-8-18(13)26-12-25-2)10-21-19-15-5-3-4-6-16(15)20-11-17(19)22(23)24/h3-9,11H,10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine?
N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine has a molecular weight of 353.38 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine is sourced from PubChem (CID 150249163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).