7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine

C96H125N23O13 — CID 159421009

IUPAC7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cccc(OC4CCNC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCNCC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCOC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCN4CCOCC4)c3c2n1C
InChIInChI=1S/C21H28N4O3.C20H27N5O3.C19H25N5O2.C18H23N5O2.C18H22N4O3/c1-4-27-13-17-24-19-20(25(17)3)18-15(23-21(19)22)10-8-11-16(18)28-12-7-5-6-9-14(2)26;1-3-26-13-16-23-18-19(24(16)2)17-14(22-20(18)21)5-4-6-15(17)28-12-9-25-7-10-27-11-8-25;1-3-25-11-15-23-17-18(24(15)2)16-13(22-19(17)20)5-4-6-14(16)26-12-7-9-21-10-8-12;1-3-24-10-14-22-16-17(23(14)2)15-12(21-18(16)19)5-4-6-13(15)25-11-7-8-20-9-11;1-3-23-10-14-21-16-17(22(14)2)15-12(20-18(16)19)5-4-6-13(15)25-11-7-8-24-9-11/h8,10-11H,4-7,9,12-13H2,1-3H3,(H2,22,23);4-6H,3,7-13H2,1-2H3,(H2,21,22);4-6,12,21H,3,7-11H2,1-2H3,(H2,20,22);4-6,11,20H,3,7-10H2,1-2H3,(H2,19,21);4-6,11H,3,7-10H2,1-2H3,(H2,19,20)
InChIKeyLPTMVEAJYQJNED-UHFFFAOYSA-N
MW1809.20 g/mol
LogP12.48
Rot. Bonds32

About 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine

7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine (PubChem CID 159421009) has the molecular formula C96H125N23O13 and a molecular weight of 1809.20 g/mol. Its IUPAC name is 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine
PubChem CID159421009
Molecular FormulaC96H125N23O13
Molecular Weight1809.20 g/mol
Exact Mass1807.98
IUPAC Name7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cccc(OC4CCNC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCNCC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCOC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCN4CCOCC4)c3c2n1C
InChIInChI=1S/C21H28N4O3.C20H27N5O3.C19H25N5O2.C18H23N5O2.C18H22N4O3/c1-4-27-13-17-24-19-20(25(17)3)18-15(23-21(19)22)10-8-11-16(18)28-12-7-5-6-9-14(2)26;1-3-26-13-16-23-18-19(24(16)2)17-14(22-20(18)21)5-4-6-15(17)28-12-9-25-7-10-27-11-8-25;1-3-25-11-15-23-17-18(24(15)2)16-13(22-19(17)20)5-4-6-14(16)26-12-7-9-21-10-8-12;1-3-24-10-14-22-16-17(23(14)2)15-12(21-18(16)19)5-4-6-13(15)25-11-7-8-20-9-11;1-3-23-10-14-21-16-17(22(14)2)15-12(20-18(16)19)5-4-6-13(15)25-11-7-8-24-9-11/h8,10-11H,4-7,9,12-13H2,1-3H3,(H2,22,23);4-6H,3,7-13H2,1-2H3,(H2,21,22);4-6,12,21H,3,7-11H2,1-2H3,(H2,20,22);4-6,11,20H,3,7-10H2,1-2H3,(H2,19,21);4-6,11H,3,7-10H2,1-2H3,(H2,19,20)
InChIKeyLPTMVEAJYQJNED-UHFFFAOYSA-N
XLogP12.48
TPSA438.78 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001809.20
LogP ≤ 512.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 57447015
2-ethyl-5-(2-morpholin-4-ylethoxy)-3-phenylquinazolin-4-one
CID 166785362
N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine
CID 89407740
2-methyl-5-[7-[4-(oxetan-3-yl)piperazin-1-yl]heptoxy]-3H-quinazolin-4-one
CID 175951506
2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine
CID 71259819
2-amino-6-(oxan-4-yloxy)benzoic acid
CID 107341552
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine
CID 117443013
[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone
CID 137338787

Frequently Asked Questions

What is the IUPAC name of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine (CID 159421009) is 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3cccc(OC4CCNC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCNCC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCOC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCN4CCOCC4)c3c2n1C.
What is the InChIKey of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine?
The InChIKey is LPTMVEAJYQJNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3.C20H27N5O3.C19H25N5O2.C18H23N5O2.C18H22N4O3/c1-4-27-13-17-24-19-20(25(17)3)18-15(23-21(19)22)10-8-11-16(18)28-12-7-5-6-9-14(2)26;1-3-26-13-16-23-18-19(24(16)2)17-14(22-20(18)21)5-4-6-15(17)28-12-9-25-7-10-27-11-8-25;1-3-25-11-15-23-17-18(24(15)2)16-13(22-19(17)20)5-4-6-14(16)26-12-7-9-21-10-8-12;1-3-24-10-14-22-16-17(23(14)2)15-12(21-18(16)19)5-4-6-13(15)25-11-7-8-20-9-11;1-3-23-10-14-21-16-17(22(14)2)15-12(20-18(16)19)5-4-6-13(15)25-11-7-8-24-9-11/h8,10-11H,4-7,9,12-13H2,1-3H3,(H2,22,23);4-6H,3,7-13H2,1-2H3,(H2,21,22);4-6,12,21H,3,7-11H2,1-2H3,(H2,20,22);4-6,11,20H,3,7-10H2,1-2H3,(H2,19,21);4-6,11H,3,7-10H2,1-2H3,(H2,19,20).
What are the key properties of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine?
7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine has a molecular weight of 1809.20 g/mol, XLogP of 12.48, 32 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 159421009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).