1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine

C92H112N20 — CID 157259767

IUPAC1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCCCCCn1cnc2c(NC)nc3ccccc3c21.CCCCCCn1cnc2c(NC)nc3ccccc3c21.CNc1nc2ccccc2c2c1nc(C)n2CC1CCCCC1.CNc1nc2ccccc2c2c1nc(C)n2Cc1ccccc1.CNc1nc2ccccc2c2c1ncn2CC1CCCCC1
InChIInChI=1S/C19H24N4.C19H18N4.C19H26N4.C18H22N4.C17H22N4/c2*1-13-21-17-18(23(13)12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)22-19(17)20-2;1-3-4-5-6-7-10-13-23-14-21-17-18(23)15-11-8-9-12-16(15)22-19(17)20-2;1-19-18-16-17(14-9-5-6-10-15(14)21-18)22(12-20-16)11-13-7-3-2-4-8-13;1-3-4-5-8-11-21-12-19-15-16(21)13-9-6-7-10-14(13)20-17(15)18-2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,20,22);3-11H,12H2,1-2H3,(H,20,22);8-9,11-12,14H,3-7,10,13H2,1-2H3,(H,20,22);5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,19,21);6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,20)
InChIKeyAXHXRGZIWLTPPL-UHFFFAOYSA-N
MW1498.05 g/mol
LogP21.90
Rot. Bonds23

About 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine

1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine (PubChem CID 157259767) has the molecular formula C92H112N20 and a molecular weight of 1498.05 g/mol. Its IUPAC name is 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine
PubChem CID157259767
Molecular FormulaC92H112N20
Molecular Weight1498.05 g/mol
Exact Mass1496.94
IUPAC Name1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCCCCCn1cnc2c(NC)nc3ccccc3c21.CCCCCCn1cnc2c(NC)nc3ccccc3c21.CNc1nc2ccccc2c2c1nc(C)n2CC1CCCCC1.CNc1nc2ccccc2c2c1nc(C)n2Cc1ccccc1.CNc1nc2ccccc2c2c1ncn2CC1CCCCC1
InChIInChI=1S/C19H24N4.C19H18N4.C19H26N4.C18H22N4.C17H22N4/c2*1-13-21-17-18(23(13)12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)22-19(17)20-2;1-3-4-5-6-7-10-13-23-14-21-17-18(23)15-11-8-9-12-16(15)22-19(17)20-2;1-19-18-16-17(14-9-5-6-10-15(14)21-18)22(12-20-16)11-13-7-3-2-4-8-13;1-3-4-5-8-11-21-12-19-15-16(21)13-9-6-7-10-14(13)20-17(15)18-2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,20,22);3-11H,12H2,1-2H3,(H,20,22);8-9,11-12,14H,3-7,10,13H2,1-2H3,(H,20,22);5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,19,21);6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,20)
InChIKeyAXHXRGZIWLTPPL-UHFFFAOYSA-N
XLogP21.90
TPSA213.70 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.05
LogP ≤ 521.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

2-[3-(4-Amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
CID 56954508
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)octane-1,8-diamine
CID 56954616
4-[7-[6-(1,7-Diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
CID 139326584
3,6-bis[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]-9-[4-(4-methylpiperazin-1-yl)butyl]carbazole
CID 137100819
2-[10-(4-Amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
CID 56954511
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)butane-1,4-diamine
CID 56954615
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine
CID 56954617
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)dodecane-1,12-diamine
CID 56954728
2-Indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide
CID 24742692
2-Indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
CID 25178743
2-[4-(4-Amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
CID 56954509
2-[6-(4-Amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
CID 56954510

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine (CID 157259767) is 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine is CCCCCCCCn1cnc2c(NC)nc3ccccc3c21.CCCCCCn1cnc2c(NC)nc3ccccc3c21.CNc1nc2ccccc2c2c1nc(C)n2CC1CCCCC1.CNc1nc2ccccc2c2c1nc(C)n2Cc1ccccc1.CNc1nc2ccccc2c2c1ncn2CC1CCCCC1.
What is the InChIKey of 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is AXHXRGZIWLTPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4.C19H18N4.C19H26N4.C18H22N4.C17H22N4/c2*1-13-21-17-18(23(13)12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)22-19(17)20-2;1-3-4-5-6-7-10-13-23-14-21-17-18(23)15-11-8-9-12-16(15)22-19(17)20-2;1-19-18-16-17(14-9-5-6-10-15(14)21-18)22(12-20-16)11-13-7-3-2-4-8-13;1-3-4-5-8-11-21-12-19-15-16(21)13-9-6-7-10-14(13)20-17(15)18-2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,20,22);3-11H,12H2,1-2H3,(H,20,22);8-9,11-12,14H,3-7,10,13H2,1-2H3,(H,20,22);5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,19,21);6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,20).
What are the key properties of 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine?
1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 1498.05 g/mol, XLogP of 21.90, 23 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N,2-dimethylimidazo[4,5-c]quinolin-4-amine;1-(cyclohexylmethyl)-N-methylimidazo[4,5-c]quinolin-4-amine;1-hexyl-N-methylimidazo[4,5-c]quinolin-4-amine;N-methyl-1-octylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 157259767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).