N-(2-nitrophenyl)quinolin-2-amine

C15H11N3O2 — CID 54688542

IUPACN-(2-nitrophenyl)quinolin-2-amine
SMILESO=[N+]([O-])c1ccccc1Nc1ccc2ccccc2n1
InChIInChI=1S/C15H11N3O2/c19-18(20)14-8-4-3-7-13(14)17-15-10-9-11-5-1-2-6-12(11)16-15/h1-10H,(H,16,17)
InChIKeySEMLNDQRUJXJNW-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.89
Rot. Bonds3

About N-(2-nitrophenyl)quinolin-2-amine

N-(2-nitrophenyl)quinolin-2-amine (PubChem CID 54688542) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(2-nitrophenyl)quinolin-2-amine.

Molecular Properties

Compound NameN-(2-nitrophenyl)quinolin-2-amine
PubChem CID54688542
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC NameN-(2-nitrophenyl)quinolin-2-amine
SMILESO=[N+]([O-])c1ccccc1Nc1ccc2ccccc2n1
InChIInChI=1S/C15H11N3O2/c19-18(20)14-8-4-3-7-13(14)17-15-10-9-11-5-1-2-6-12(11)16-15/h1-10H,(H,16,17)
InChIKeySEMLNDQRUJXJNW-UHFFFAOYSA-N
XLogP3.89
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)quinolin-2-amine?
The IUPAC name of N-(2-nitrophenyl)quinolin-2-amine (CID 54688542) is N-(2-nitrophenyl)quinolin-2-amine.
What is the SMILES notation for N-(2-nitrophenyl)quinolin-2-amine?
The canonical SMILES for N-(2-nitrophenyl)quinolin-2-amine is O=[N+]([O-])c1ccccc1Nc1ccc2ccccc2n1.
What is the InChIKey of N-(2-nitrophenyl)quinolin-2-amine?
The InChIKey is SEMLNDQRUJXJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-18(20)14-8-4-3-7-13(14)17-15-10-9-11-5-1-2-6-12(11)16-15/h1-10H,(H,16,17).
What are the key properties of N-(2-nitrophenyl)quinolin-2-amine?
N-(2-nitrophenyl)quinolin-2-amine has a molecular weight of 265.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)quinolin-2-amine is sourced from PubChem (CID 54688542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).