1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine

C113H148N24O10 — CID 161405729

IUPAC1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCC(C)c1nc2cccnc2c2c1ncn2CCCC(=O)C(N)CC(C)C.CCCCCC(=O)CCCCCn1c(CCCC)nc2c(N)nc3cccnc3c21.CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCCOCc1ccccc1.COC(N)C(C)(C)c1nc2ccccc2c2c1ncn2CCO.COCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)Nc1ccccc1
InChIInChI=1S/C25H30N4O3.C24H28N6O3.C24H35N5O.C23H33N5O.C17H22N4O2/c1-2-30-18-22-28-23-24(20-11-6-7-12-21(20)27-25(23)26)29(22)13-16-31-14-8-15-32-17-19-9-4-3-5-10-19;1-32-14-11-20-29-21-22(18-9-5-6-10-19(18)28-23(21)25)30(20)13-16-33-15-12-26-24(31)27-17-7-3-2-4-8-17;1-3-5-8-12-18(30)13-9-7-10-17-29-20(15-6-4-2)28-22-23(29)21-19(27-24(22)25)14-11-16-26-21;1-5-8-16(4)20-22-23(21-18(27-20)9-6-11-25-21)28(14-26-22)12-7-10-19(29)17(24)13-15(2)3;1-17(2,16(18)23-3)15-13-14(21(8-9-22)10-19-13)11-6-4-5-7-12(11)20-15/h3-7,9-12H,2,8,13-18H2,1H3,(H2,26,27);2-10H,11-16H2,1H3,(H2,25,28)(H2,26,27,31);11,14,16H,3-10,12-13,15,17H2,1-2H3,(H2,25,27);6,9,11,14-17H,5,7-8,10,12-13,24H2,1-4H3;4-7,10,16,22H,8-9,18H2,1-3H3
InChIKeyVUURWHXIJAEQFZ-UHFFFAOYSA-N
MW2002.58 g/mol
LogP19.53
Rot. Bonds50

About 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine

1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 161405729) has the molecular formula C113H148N24O10 and a molecular weight of 2002.58 g/mol. Its IUPAC name is 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID161405729
Molecular FormulaC113H148N24O10
Molecular Weight2002.58 g/mol
Exact Mass2001.18
IUPAC Name1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCC(C)c1nc2cccnc2c2c1ncn2CCCC(=O)C(N)CC(C)C.CCCCCC(=O)CCCCCn1c(CCCC)nc2c(N)nc3cccnc3c21.CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCCOCc1ccccc1.COC(N)C(C)(C)c1nc2ccccc2c2c1ncn2CCO.COCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)Nc1ccccc1
InChIInChI=1S/C25H30N4O3.C24H28N6O3.C24H35N5O.C23H33N5O.C17H22N4O2/c1-2-30-18-22-28-23-24(20-11-6-7-12-21(20)27-25(23)26)29(22)13-16-31-14-8-15-32-17-19-9-4-3-5-10-19;1-32-14-11-20-29-21-22(18-9-5-6-10-19(18)28-23(21)25)30(20)13-16-33-15-12-26-24(31)27-17-7-3-2-4-8-17;1-3-5-8-12-18(30)13-9-7-10-17-29-20(15-6-4-2)28-22-23(29)21-19(27-24(22)25)14-11-16-26-21;1-5-8-16(4)20-22-23(21-18(27-20)9-6-11-25-21)28(14-26-22)12-7-10-19(29)17(24)13-15(2)3;1-17(2,16(18)23-3)15-13-14(21(8-9-22)10-19-13)11-6-4-5-7-12(11)20-15/h3-7,9-12H,2,8,13-18H2,1H3,(H2,26,27);2-10H,11-16H2,1H3,(H2,25,28)(H2,26,27,31);11,14,16H,3-10,12-13,15,17H2,1-2H3,(H2,25,27);6,9,11,14-17H,5,7-8,10,12-13,24H2,1-4H3;4-7,10,16,22H,8-9,18H2,1-3H3
InChIKeyVUURWHXIJAEQFZ-UHFFFAOYSA-N
XLogP19.53
TPSA460.31 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds50
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002002.58
LogP ≤ 519.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine (CID 161405729) is 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine is CCCC(C)c1nc2cccnc2c2c1ncn2CCCC(=O)C(N)CC(C)C.CCCCCC(=O)CCCCCn1c(CCCC)nc2c(N)nc3cccnc3c21.CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCCOCc1ccccc1.COC(N)C(C)(C)c1nc2ccccc2c2c1ncn2CCO.COCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is VUURWHXIJAEQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3.C24H28N6O3.C24H35N5O.C23H33N5O.C17H22N4O2/c1-2-30-18-22-28-23-24(20-11-6-7-12-21(20)27-25(23)26)29(22)13-16-31-14-8-15-32-17-19-9-4-3-5-10-19;1-32-14-11-20-29-21-22(18-9-5-6-10-19(18)28-23(21)25)30(20)13-16-33-15-12-26-24(31)27-17-7-3-2-4-8-17;1-3-5-8-12-18(30)13-9-7-10-17-29-20(15-6-4-2)28-22-23(29)21-19(27-24(22)25)14-11-16-26-21;1-5-8-16(4)20-22-23(21-18(27-20)9-6-11-25-21)28(14-26-22)12-7-10-19(29)17(24)13-15(2)3;1-17(2,16(18)23-3)15-13-14(21(8-9-22)10-19-13)11-6-4-5-7-12(11)20-15/h3-7,9-12H,2,8,13-18H2,1H3,(H2,26,27);2-10H,11-16H2,1H3,(H2,25,28)(H2,26,27,31);11,14,16H,3-10,12-13,15,17H2,1-2H3,(H2,25,27);6,9,11,14-17H,5,7-8,10,12-13,24H2,1-4H3;4-7,10,16,22H,8-9,18H2,1-3H3.
What are the key properties of 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine?
1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 2002.58 g/mol, XLogP of 19.53, 50 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)undecan-6-one;1-[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-phenylurea;2-[4-(1-amino-1-methoxy-2-methylpropan-2-yl)imidazo[4,5-c]quinolin-1-yl]ethanol;5-amino-7-methyl-1-(4-pentan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)octan-4-one;2-(ethoxymethyl)-1-[2-(3-phenylmethoxypropoxy)ethyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 161405729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).