N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine

C16H23N3O3Si — CID 20609947

IUPACN-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine
SMILESCC(C)(C)[Si](C)(C)OCNc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C16H23N3O3Si/c1-16(2,3)23(4,5)22-11-18-15-12-8-6-7-9-13(12)17-10-14(15)19(20)21/h6-10H,11H2,1-5H3,(H,17,18)
InChIKeyGTPZULOYTJQFPA-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.53
Rot. Bonds5

About N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine

N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine (PubChem CID 20609947) has the molecular formula C16H23N3O3Si and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine
PubChem CID20609947
Molecular FormulaC16H23N3O3Si
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine
SMILESCC(C)(C)[Si](C)(C)OCNc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C16H23N3O3Si/c1-16(2,3)23(4,5)22-11-18-15-12-8-6-7-9-13(12)17-10-14(15)19(20)21/h6-10H,11H2,1-5H3,(H,17,18)
InChIKeyGTPZULOYTJQFPA-UHFFFAOYSA-N
XLogP4.53
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine?
The IUPAC name of N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine (CID 20609947) is N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine.
What is the SMILES notation for N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine?
The canonical SMILES for N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine is CC(C)(C)[Si](C)(C)OCNc1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine?
The InChIKey is GTPZULOYTJQFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3Si/c1-16(2,3)23(4,5)22-11-18-15-12-8-6-7-9-13(12)17-10-14(15)19(20)21/h6-10H,11H2,1-5H3,(H,17,18).
What are the key properties of N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine?
N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine has a molecular weight of 333.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroquinolin-4-amine is sourced from PubChem (CID 20609947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).