2,3-dimethylquinoline-5,8-diamine

C11H13N3 — CID 174677847

IUPAC2,3-dimethylquinoline-5,8-diamine
SMILESCc1cc2c(N)ccc(N)c2nc1C
InChIInChI=1S/C11H13N3/c1-6-5-8-9(12)3-4-10(13)11(8)14-7(6)2/h3-5H,12-13H2,1-2H3
InChIKeyUAXLJMAVUDGJRC-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.02
Rot. Bonds

About 2,3-dimethylquinoline-5,8-diamine

2,3-dimethylquinoline-5,8-diamine (PubChem CID 174677847) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2,3-dimethylquinoline-5,8-diamine.

Molecular Properties

Compound Name2,3-dimethylquinoline-5,8-diamine
PubChem CID174677847
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2,3-dimethylquinoline-5,8-diamine
SMILESCc1cc2c(N)ccc(N)c2nc1C
InChIInChI=1S/C11H13N3/c1-6-5-8-9(12)3-4-10(13)11(8)14-7(6)2/h3-5H,12-13H2,1-2H3
InChIKeyUAXLJMAVUDGJRC-UHFFFAOYSA-N
XLogP2.02
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.02
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 2,3-dimethylquinoline-5,8-diamine?
The IUPAC name of 2,3-dimethylquinoline-5,8-diamine (CID 174677847) is 2,3-dimethylquinoline-5,8-diamine.
What is the SMILES notation for 2,3-dimethylquinoline-5,8-diamine?
The canonical SMILES for 2,3-dimethylquinoline-5,8-diamine is Cc1cc2c(N)ccc(N)c2nc1C.
What is the InChIKey of 2,3-dimethylquinoline-5,8-diamine?
The InChIKey is UAXLJMAVUDGJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-6-5-8-9(12)3-4-10(13)11(8)14-7(6)2/h3-5H,12-13H2,1-2H3.
What are the key properties of 2,3-dimethylquinoline-5,8-diamine?
2,3-dimethylquinoline-5,8-diamine has a molecular weight of 187.25 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylquinoline-5,8-diamine is sourced from PubChem (CID 174677847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).