3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine

C13H17N3 — CID 910757

IUPAC3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine
SMILESCCc1c(N(C)C)nc2ccccc2c1N
InChIInChI=1S/C13H17N3/c1-4-9-12(14)10-7-5-6-8-11(10)15-13(9)16(2)3/h5-8H,4H2,1-3H3,(H2,14,15)
InChIKeyQFVQHSUSSINTLS-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.45
Rot. Bonds2

About 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine

3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine (PubChem CID 910757) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine
PubChem CID910757
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine
SMILESCCc1c(N(C)C)nc2ccccc2c1N
InChIInChI=1S/C13H17N3/c1-4-9-12(14)10-7-5-6-8-11(10)15-13(9)16(2)3/h5-8H,4H2,1-3H3,(H2,14,15)
InChIKeyQFVQHSUSSINTLS-UHFFFAOYSA-N
XLogP2.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine (CID 910757) is 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine is CCc1c(N(C)C)nc2ccccc2c1N.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine?
The InChIKey is QFVQHSUSSINTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-9-12(14)10-7-5-6-8-11(10)15-13(9)16(2)3/h5-8H,4H2,1-3H3,(H2,14,15).
What are the key properties of 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine?
3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine has a molecular weight of 215.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine is sourced from PubChem (CID 910757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).