N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine

C14H17N3O3 — CID 104762572

IUPACN-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine
SMILESCOC(C)(C)CNc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-14(2,20-3)9-16-13-10-6-4-5-7-11(10)15-8-12(13)17(18)19/h4-8H,9H2,1-3H3,(H,15,16)
InChIKeySSYNEPNHPCCKQO-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.98
Rot. Bonds5

About N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine

N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine (PubChem CID 104762572) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine
PubChem CID104762572
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine
SMILESCOC(C)(C)CNc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-14(2,20-3)9-16-13-10-6-4-5-7-11(10)15-8-12(13)17(18)19/h4-8H,9H2,1-3H3,(H,15,16)
InChIKeySSYNEPNHPCCKQO-UHFFFAOYSA-N
XLogP2.98
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
2-methyl-2-N-(3-nitroquinolin-4-yl)propane-1,2-diamine
CID 68820625
[2,2-dimethyl-3-[(3-nitroquinolin-4-yl)amino]propyl] 4-methylbenzenesulfonate
CID 86628406
N-(1-methoxypropyl)-3-nitroquinolin-4-amine
CID 67837777
N-(2-bromoprop-2-enyl)-3-nitroquinolin-4-amine
CID 113465098
4-[[(3-nitroquinolin-4-yl)amino]methyl]phenol
CID 171398102
N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine
CID 103964097
2-[(3-nitroquinolin-4-yl)amino]ethyl carbamate
CID 23019820
N-[[4-(methoxymethoxy)-3-methylphenyl]methyl]-3-nitroquinolin-4-amine
CID 150249163
3-[(3-nitroquinolin-4-yl)amino]propanamide
CID 103963977
5-[(3-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106128996
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine (CID 104762572) is N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine is COC(C)(C)CNc1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine?
The InChIKey is SSYNEPNHPCCKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,20-3)9-16-13-10-6-4-5-7-11(10)15-8-12(13)17(18)19/h4-8H,9H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine?
N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine is sourced from PubChem (CID 104762572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).