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

C18H25N5 — CID 123457452

IUPAC9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine
SMILESCCCNc1nc2c(N)nc3cccc(C)c3c2n1CC(C)C
InChIInChI=1S/C18H25N5/c1-5-9-20-18-22-15-16(23(18)10-11(2)3)14-12(4)7-6-8-13(14)21-17(15)19/h6-8,11H,5,9-10H2,1-4H3,(H2,19,21)(H,20,22)
InChIKeyPNAJXHDEROGUSY-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.95
Rot. Bonds5

About 9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine

9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine (PubChem CID 123457452) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine.

Molecular Properties

Compound Name9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine
PubChem CID123457452
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine
SMILESCCCNc1nc2c(N)nc3cccc(C)c3c2n1CC(C)C
InChIInChI=1S/C18H25N5/c1-5-9-20-18-22-15-16(23(18)10-11(2)3)14-12(4)7-6-8-13(14)21-17(15)19/h6-8,11H,5,9-10H2,1-4H3,(H2,19,21)(H,20,22)
InChIKeyPNAJXHDEROGUSY-UHFFFAOYSA-N
XLogP3.95
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 11630397
2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 159484481
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane
CID 143201895
1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine
CID 68867832
2-[4-amino-9-(3-hydroxy-3-methylbutoxy)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]acetonitrile
CID 170084158
1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione
CID 16802673
6-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11253823
1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 158581646

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?
The IUPAC name of 9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine (CID 123457452) is 9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine.
What is the SMILES notation for 9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?
The canonical SMILES for 9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine is CCCNc1nc2c(N)nc3cccc(C)c3c2n1CC(C)C.
What is the InChIKey of 9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?
The InChIKey is PNAJXHDEROGUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-5-9-20-18-22-15-16(23(18)10-11(2)3)14-12(4)7-6-8-13(14)21-17(15)19/h6-8,11H,5,9-10H2,1-4H3,(H2,19,21)(H,20,22).
What are the key properties of 9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?
9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine has a molecular weight of 311.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine is sourced from PubChem (CID 123457452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).