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

C50H62N10 — CID 159484481

IUPAC2-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
SMILESCCCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCCNc1nc2c(N)nc3ccccc3c2n1CC(C)C
InChIInChI=1S/C32H37N5.C18H25N5/c1-4-5-20-33-32-35-29-30(37(32)21-24(2)3)27-18-12-13-19-28(27)34-31(29)36(22-25-14-8-6-9-15-25)23-26-16-10-7-11-17-26;1-4-5-10-20-18-22-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)21-17(15)19/h6-19,24H,4-5,20-23H2,1-3H3,(H,33,35);6-9,12H,4-5,10-11H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyLXKISUHIOYYEGY-UHFFFAOYSA-N
MW803.12 g/mol
LogP11.69
Rot. Bonds17

About 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

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 (PubChem CID 159484481) has the molecular formula C50H62N10 and a molecular weight of 803.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159484481
Molecular FormulaC50H62N10
Molecular Weight803.12 g/mol
Exact Mass802.52
IUPAC Name2-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
SMILESCCCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCCNc1nc2c(N)nc3ccccc3c2n1CC(C)C
InChIInChI=1S/C32H37N5.C18H25N5/c1-4-5-20-33-32-35-29-30(37(32)21-24(2)3)27-18-12-13-19-28(27)34-31(29)36(22-25-14-8-6-9-15-25)23-26-16-10-7-11-17-26;1-4-5-10-20-18-22-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)21-17(15)19/h6-19,24H,4-5,20-23H2,1-3H3,(H,33,35);6-9,12H,4-5,10-11H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyLXKISUHIOYYEGY-UHFFFAOYSA-N
XLogP11.69
TPSA114.74 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.12
LogP ≤ 511.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane
CID 143201895
2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 11630397
1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine
CID 87406415
1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 159809823
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
9-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine
CID 123457452
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine
CID 57159810
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine
CID 11500546

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCCNc1nc2c(N)nc3ccccc3c2n1CC(C)C.
What is the InChIKey of 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?
The InChIKey is LXKISUHIOYYEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5.C18H25N5/c1-4-5-20-33-32-35-29-30(37(32)21-24(2)3)27-18-12-13-19-28(27)34-31(29)36(22-25-14-8-6-9-15-25)23-26-16-10-7-11-17-26;1-4-5-10-20-18-22-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)21-17(15)19/h6-19,24H,4-5,20-23H2,1-3H3,(H,33,35);6-9,12H,4-5,10-11H2,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 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?
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 has a molecular weight of 803.12 g/mol, XLogP of 11.69, 17 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159484481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).