2-methyl-5-nitro-N-phenylquinolin-6-amine

C16H13N3O2 — CID 10107642

IUPAC2-methyl-5-nitro-N-phenylquinolin-6-amine
SMILESCc1ccc2c([N+](=O)[O-])c(Nc3ccccc3)ccc2n1
InChIInChI=1S/C16H13N3O2/c1-11-7-8-13-14(17-11)9-10-15(16(13)19(20)21)18-12-5-3-2-4-6-12/h2-10,18H,1H3
InChIKeyRCBFUUFPVNGQBH-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.20
Rot. Bonds3

About 2-methyl-5-nitro-N-phenylquinolin-6-amine

2-methyl-5-nitro-N-phenylquinolin-6-amine (PubChem CID 10107642) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-phenylquinolin-6-amine.

Molecular Properties

Compound Name2-methyl-5-nitro-N-phenylquinolin-6-amine
PubChem CID10107642
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-methyl-5-nitro-N-phenylquinolin-6-amine
SMILESCc1ccc2c([N+](=O)[O-])c(Nc3ccccc3)ccc2n1
InChIInChI=1S/C16H13N3O2/c1-11-7-8-13-14(17-11)9-10-15(16(13)19(20)21)18-12-5-3-2-4-6-12/h2-10,18H,1H3
InChIKeyRCBFUUFPVNGQBH-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 2-methyl-5-nitro-N-phenylquinolin-6-amine?
The IUPAC name of 2-methyl-5-nitro-N-phenylquinolin-6-amine (CID 10107642) is 2-methyl-5-nitro-N-phenylquinolin-6-amine.
What is the SMILES notation for 2-methyl-5-nitro-N-phenylquinolin-6-amine?
The canonical SMILES for 2-methyl-5-nitro-N-phenylquinolin-6-amine is Cc1ccc2c([N+](=O)[O-])c(Nc3ccccc3)ccc2n1.
What is the InChIKey of 2-methyl-5-nitro-N-phenylquinolin-6-amine?
The InChIKey is RCBFUUFPVNGQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-7-8-13-14(17-11)9-10-15(16(13)19(20)21)18-12-5-3-2-4-6-12/h2-10,18H,1H3.
What are the key properties of 2-methyl-5-nitro-N-phenylquinolin-6-amine?
2-methyl-5-nitro-N-phenylquinolin-6-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 2-methyl-5-nitro-N-phenylquinolin-6-amine is sourced from PubChem (CID 10107642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).