N-(2-methylphenyl)-3-nitroquinolin-4-amine

C16H13N3O2 — CID 15025706

IUPACN-(2-methylphenyl)-3-nitroquinolin-4-amine
SMILESCc1ccccc1Nc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C16H13N3O2/c1-11-6-2-4-8-13(11)18-16-12-7-3-5-9-14(12)17-10-15(16)19(20)21/h2-10H,1H3,(H,17,18)
InChIKeyQUGFEESJCGYZSU-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.20
Rot. Bonds3

About N-(2-methylphenyl)-3-nitroquinolin-4-amine

N-(2-methylphenyl)-3-nitroquinolin-4-amine (PubChem CID 15025706) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-nitroquinolin-4-amine
PubChem CID15025706
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(2-methylphenyl)-3-nitroquinolin-4-amine
SMILESCc1ccccc1Nc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C16H13N3O2/c1-11-6-2-4-8-13(11)18-16-12-7-3-5-9-14(12)17-10-15(16)19(20)21/h2-10H,1H3,(H,17,18)
InChIKeyQUGFEESJCGYZSU-UHFFFAOYSA-N
XLogP4.20
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.20
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-methylphenyl)-3-nitroquinolin-4-amine?
The IUPAC name of N-(2-methylphenyl)-3-nitroquinolin-4-amine (CID 15025706) is N-(2-methylphenyl)-3-nitroquinolin-4-amine.
What is the SMILES notation for N-(2-methylphenyl)-3-nitroquinolin-4-amine?
The canonical SMILES for N-(2-methylphenyl)-3-nitroquinolin-4-amine is Cc1ccccc1Nc1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of N-(2-methylphenyl)-3-nitroquinolin-4-amine?
The InChIKey is QUGFEESJCGYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-6-2-4-8-13(11)18-16-12-7-3-5-9-14(12)17-10-15(16)19(20)21/h2-10H,1H3,(H,17,18).
What are the key properties of N-(2-methylphenyl)-3-nitroquinolin-4-amine?
N-(2-methylphenyl)-3-nitroquinolin-4-amine has a molecular weight of 279.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-nitroquinolin-4-amine is sourced from PubChem (CID 15025706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).