5-N-methylquinoline-5,6-diamine

C10H11N3 — CID 154402299

IUPAC5-N-methylquinoline-5,6-diamine
SMILESCNc1c(N)ccc2ncccc12
InChIInChI=1S/C10H11N3/c1-12-10-7-3-2-6-13-9(7)5-4-8(10)11/h2-6,12H,11H2,1H3
InChIKeyZDEOSWJATAMVIP-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.86
Rot. Bonds1

About 5-N-methylquinoline-5,6-diamine

5-N-methylquinoline-5,6-diamine (PubChem CID 154402299) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-N-methylquinoline-5,6-diamine.

Molecular Properties

Compound Name5-N-methylquinoline-5,6-diamine
PubChem CID154402299
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name5-N-methylquinoline-5,6-diamine
SMILESCNc1c(N)ccc2ncccc12
InChIInChI=1S/C10H11N3/c1-12-10-7-3-2-6-13-9(7)5-4-8(10)11/h2-6,12H,11H2,1H3
InChIKeyZDEOSWJATAMVIP-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-methylquinoline-5,6-diamine?
The IUPAC name of 5-N-methylquinoline-5,6-diamine (CID 154402299) is 5-N-methylquinoline-5,6-diamine.
What is the SMILES notation for 5-N-methylquinoline-5,6-diamine?
The canonical SMILES for 5-N-methylquinoline-5,6-diamine is CNc1c(N)ccc2ncccc12.
What is the InChIKey of 5-N-methylquinoline-5,6-diamine?
The InChIKey is ZDEOSWJATAMVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-12-10-7-3-2-6-13-9(7)5-4-8(10)11/h2-6,12H,11H2,1H3.
What are the key properties of 5-N-methylquinoline-5,6-diamine?
5-N-methylquinoline-5,6-diamine has a molecular weight of 173.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methylquinoline-5,6-diamine is sourced from PubChem (CID 154402299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).