4-nitro-2-phenylmethoxyquinolin-3-amine

C16H13N3O3 — CID 19034606

IUPAC4-nitro-2-phenylmethoxyquinolin-3-amine
SMILESNc1c(OCc2ccccc2)nc2ccccc2c1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O3/c17-14-15(19(20)21)12-8-4-5-9-13(12)18-16(14)22-10-11-6-2-1-3-7-11/h1-9H,10,17H2
InChIKeyMGODIXHAFQXBRO-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.30
Rot. Bonds4

About 4-nitro-2-phenylmethoxyquinolin-3-amine

4-nitro-2-phenylmethoxyquinolin-3-amine (PubChem CID 19034606) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-nitro-2-phenylmethoxyquinolin-3-amine.

Molecular Properties

Compound Name4-nitro-2-phenylmethoxyquinolin-3-amine
PubChem CID19034606
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-nitro-2-phenylmethoxyquinolin-3-amine
SMILESNc1c(OCc2ccccc2)nc2ccccc2c1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O3/c17-14-15(19(20)21)12-8-4-5-9-13(12)18-16(14)22-10-11-6-2-1-3-7-11/h1-9H,10,17H2
InChIKeyMGODIXHAFQXBRO-UHFFFAOYSA-N
XLogP3.30
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.30
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'}

Analyze 4-nitro-2-phenylmethoxyquinolin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-phenylmethoxyquinolin-3-amine?
The IUPAC name of 4-nitro-2-phenylmethoxyquinolin-3-amine (CID 19034606) is 4-nitro-2-phenylmethoxyquinolin-3-amine.
What is the SMILES notation for 4-nitro-2-phenylmethoxyquinolin-3-amine?
The canonical SMILES for 4-nitro-2-phenylmethoxyquinolin-3-amine is Nc1c(OCc2ccccc2)nc2ccccc2c1[N+](=O)[O-].
What is the InChIKey of 4-nitro-2-phenylmethoxyquinolin-3-amine?
The InChIKey is MGODIXHAFQXBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-14-15(19(20)21)12-8-4-5-9-13(12)18-16(14)22-10-11-6-2-1-3-7-11/h1-9H,10,17H2.
What are the key properties of 4-nitro-2-phenylmethoxyquinolin-3-amine?
4-nitro-2-phenylmethoxyquinolin-3-amine has a molecular weight of 295.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-phenylmethoxyquinolin-3-amine is sourced from PubChem (CID 19034606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).