1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea

C86H107BrN24O8 — CID 157129287

IUPAC1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea
SMILESCNC(=O)NCCCCn1c(CCOC)nc2c(N)nc3ccccc3c21.CNC(=O)NCCCCn1c(CCOC)nc2c(N)nc3ccccc3c21.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccccc1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C24H27BrN6O2.C24H28N6O2.2C19H26N6O2/c1-33-15-12-20-30-21-22(16-8-2-4-10-18(16)28-23(21)26)31(20)14-7-6-13-27-24(32)29-19-11-5-3-9-17(19)25;1-32-16-13-20-29-21-22(18-11-5-6-12-19(18)28-23(21)25)30(20)15-8-7-14-26-24(31)27-17-9-3-2-4-10-17;2*1-21-19(26)22-10-5-6-11-25-15(9-12-27-2)24-16-17(25)13-7-3-4-8-14(13)23-18(16)20/h2-5,8-11H,6-7,12-15H2,1H3,(H2,26,28)(H2,27,29,32);2-6,9-12H,7-8,13-16H2,1H3,(H2,25,28)(H2,26,27,31);2*3-4,7-8H,5-6,9-12H2,1-2H3,(H2,20,23)(H2,21,22,26)
InChIKeyAIWGFOHRLOSUIU-UHFFFAOYSA-N
MW1684.87 g/mol
LogP12.81
Rot. Bonds34

About 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea

1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea (PubChem CID 157129287) has the molecular formula C86H107BrN24O8 and a molecular weight of 1684.87 g/mol. Its IUPAC name is 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea
PubChem CID157129287
Molecular FormulaC86H107BrN24O8
Molecular Weight1684.87 g/mol
Exact Mass1682.79
IUPAC Name1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea
SMILESCNC(=O)NCCCCn1c(CCOC)nc2c(N)nc3ccccc3c21.CNC(=O)NCCCCn1c(CCOC)nc2c(N)nc3ccccc3c21.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccccc1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C24H27BrN6O2.C24H28N6O2.2C19H26N6O2/c1-33-15-12-20-30-21-22(16-8-2-4-10-18(16)28-23(21)26)31(20)14-7-6-13-27-24(32)29-19-11-5-3-9-17(19)25;1-32-16-13-20-29-21-22(18-11-5-6-12-19(18)28-23(21)25)30(20)15-8-7-14-26-24(31)27-17-9-3-2-4-10-17;2*1-21-19(26)22-10-5-6-11-25-15(9-12-27-2)24-16-17(25)13-7-3-4-8-14(13)23-18(16)20/h2-5,8-11H,6-7,12-15H2,1H3,(H2,26,28)(H2,27,29,32);2-6,9-12H,7-8,13-16H2,1H3,(H2,25,28)(H2,26,27,31);2*3-4,7-8H,5-6,9-12H2,1-2H3,(H2,20,23)(H2,21,22,26)
InChIKeyAIWGFOHRLOSUIU-UHFFFAOYSA-N
XLogP12.81
TPSA428.36 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001684.87
LogP ≤ 512.81
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea with MolForge

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Related Compounds

1-[4-[4-Amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157954420
N,N''-1,3-phenylenebis {N'-[4-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]urea}
CID 10101783
1-[4-(4-Amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylcarbamoylamino]cyclohexyl]urea
CID 10259691
1-[2-[2-[4-Amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-[8-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamoylamino]octyl]urea
CID 21946030
1-[4-(4-Amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-bromophenyl)urea
CID 22985755
1-[4-[4-Amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea
CID 22985800
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-[2-[2-[4-[2-[[4-Amino-1-(2-amino-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]ethylamino]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea
CID 130217816
1-[[4-[(4-Amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-3-[2-[bis[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylcarbamothioylamino]ethyl]amino]ethyl]urea
CID 134510393
1-[2-[2-[4-[2-[[4-amino-1-(2-amino-2-methylpropyl)-3-methyl-2H-imidazo[4,5-c]quinolin-2-yl]methoxy]ethylamino]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea
CID 145026387
1-[2-[2-[4-[[4-Amino-1-(2-amino-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxymethylamino]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea
CID 145348544
4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[1,3-bis[3-[1,3-bis[3-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-3-oxopropoxy]propan-2-ylamino]-3-oxopropoxy]propan-2-yl]-4-oxobutanamide
CID 146491186

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea?
The IUPAC name of 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea (CID 157129287) is 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea?
The canonical SMILES for 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea is CNC(=O)NCCCCn1c(CCOC)nc2c(N)nc3ccccc3c21.CNC(=O)NCCCCn1c(CCOC)nc2c(N)nc3ccccc3c21.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccccc1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea?
The InChIKey is AIWGFOHRLOSUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN6O2.C24H28N6O2.2C19H26N6O2/c1-33-15-12-20-30-21-22(16-8-2-4-10-18(16)28-23(21)26)31(20)14-7-6-13-27-24(32)29-19-11-5-3-9-17(19)25;1-32-16-13-20-29-21-22(18-11-5-6-12-19(18)28-23(21)25)30(20)15-8-7-14-26-24(31)27-17-9-3-2-4-10-17;2*1-21-19(26)22-10-5-6-11-25-15(9-12-27-2)24-16-17(25)13-7-3-4-8-14(13)23-18(16)20/h2-5,8-11H,6-7,12-15H2,1H3,(H2,26,28)(H2,27,29,32);2-6,9-12H,7-8,13-16H2,1H3,(H2,25,28)(H2,26,27,31);2*3-4,7-8H,5-6,9-12H2,1-2H3,(H2,20,23)(H2,21,22,26).
What are the key properties of 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea?
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea has a molecular weight of 1684.87 g/mol, XLogP of 12.81, 34 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea is sourced from PubChem (CID 157129287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).