2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine

C15H19N5 — CID 11630397

IUPAC2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
SMILESCNc1nc2c(N)nc3ccccc3c2n1CC(C)C
InChIInChI=1S/C15H19N5/c1-9(2)8-20-13-10-6-4-5-7-11(10)18-14(16)12(13)19-15(20)17-3/h4-7,9H,8H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyBWIQMBLDRUXPEN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.86
Rot. Bonds3

About 2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine

2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine (PubChem CID 11630397) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
PubChem CID11630397
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
SMILESCNc1nc2c(N)nc3ccccc3c2n1CC(C)C
InChIInChI=1S/C15H19N5/c1-9(2)8-20-13-10-6-4-5-7-11(10)18-14(16)12(13)19-15(20)17-3/h4-7,9H,8H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyBWIQMBLDRUXPEN-UHFFFAOYSA-N
XLogP2.86
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine?
The IUPAC name of 2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine (CID 11630397) is 2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine is CNc1nc2c(N)nc3ccccc3c2n1CC(C)C.
What is the InChIKey of 2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine?
The InChIKey is BWIQMBLDRUXPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-9(2)8-20-13-10-6-4-5-7-11(10)18-14(16)12(13)19-15(20)17-3/h4-7,9H,8H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine?
2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine is sourced from PubChem (CID 11630397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).