2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane

C19H29N5 — CID 143201895

IUPAC2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane
SMILESCC.CCCCNc1nc2c(N)nc3ccccc3c2n1CCC
InChIInChI=1S/C17H23N5.C2H6/c1-3-5-10-19-17-21-14-15(22(17)11-4-2)12-8-6-7-9-13(12)20-16(14)18;1-2/h6-9H,3-5,10-11H2,1-2H3,(H2,18,20)(H,19,21);1-2H3
InChIKeyLARGMIAHQVEEMU-UHFFFAOYSA-N
MW327.48 g/mol
LogP4.81
Rot. Bonds6

About 2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane

2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane (PubChem CID 143201895) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane.

Molecular Properties

Compound Name2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane
PubChem CID143201895
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane
SMILESCC.CCCCNc1nc2c(N)nc3ccccc3c2n1CCC
InChIInChI=1S/C17H23N5.C2H6/c1-3-5-10-19-17-21-14-15(22(17)11-4-2)12-8-6-7-9-13(12)20-16(14)18;1-2/h6-9H,3-5,10-11H2,1-2H3,(H2,18,20)(H,19,21);1-2H3
InChIKeyLARGMIAHQVEEMU-UHFFFAOYSA-N
XLogP4.81
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
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
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745
2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 11630397
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 20713987
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane?
The IUPAC name of 2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane (CID 143201895) is 2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane.
What is the SMILES notation for 2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane?
The canonical SMILES for 2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane is CC.CCCCNc1nc2c(N)nc3ccccc3c2n1CCC.
What is the InChIKey of 2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane?
The InChIKey is LARGMIAHQVEEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5.C2H6/c1-3-5-10-19-17-21-14-15(22(17)11-4-2)12-8-6-7-9-13(12)20-16(14)18;1-2/h6-9H,3-5,10-11H2,1-2H3,(H2,18,20)(H,19,21);1-2H3.
What are the key properties of 2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane?
2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane has a molecular weight of 327.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane is sourced from PubChem (CID 143201895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).