N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol

C106H140BrN15O16 — CID 159354402

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol (PubChem CID 159354402) has the molecular formula C106H140BrN15O16 and a molecular weight of 1960.28 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol
• PubChem CID: 159354402
• Molecular Formula: C106H140BrN15O16
• Molecular Weight: 1960.28 g/mol
• Exact Mass: 1957.98
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol
• SMILES: CCOC(=O)c1cn[nH]c1.CCOC(=O)c1cnn(Cc2ccc3c(c2)N(CCOC)CCC3)c1.COC(=O)c1ccc2c(c1)CCCC2.COCCBr.COCCN1CCCc2ccc(CO)cc21.COCCN1CCCc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc21.COCCN1CCCc2ccc(Cn3cc(C(=O)O)cn3)cc21.OCc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C25H32N6O2.C19H25N3O3.C17H21N3O3.C13H19NO2.C12H14O2.C11H14O.C6H8N2O2.C3H7BrO/c1-17-11-24(26)29-18(2)22(17)14-27-25(32)21-13-28-31(16-21)15-19-6-7-20-5-4-8-30(9-10-33-3)23(20)12-19;1-3-25-19(23)17-12-20-22(14-17)13-15-6-7-16-5-4-8-21(9-10-24-2)18(16)11-15;1-23-8-7-19-6-2-3-14-5-4-13(9-16(14)19)11-20-12-15(10-18-20)17(21)22;1-16-8-7-14-6-2-3-12-5-4-11(10-15)9-13(12)14;1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11;12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-2-10-6(9)5-3-7-8-4-5;1-5-3-2-4/h6-7,11-13,16H,4-5,8-10,14-15H2,1-3H3,(H2,26,29)(H,27,32);6-7,11-12,14H,3-5,8-10,13H2,1-2H3;4-5,9-10,12H,2-3,6-8,11H2,1H3,(H,21,22);4-5,9,15H,2-3,6-8,10H2,1H3;6-8H,2-5H2,1H3;5-7,12H,1-4,8H2;3-4H,2H2,1H3,(H,7,8);2-3H2,1H3
• InChIKey: LHSYSRMSZMSWAN-UHFFFAOYSA-N
• XLogP: 14.99
• TPSA: 365.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.28
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol (CID 159354402) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol is CCOC(=O)c1cn[nH]c1.CCOC(=O)c1cnn(Cc2ccc3c(c2)N(CCOC)CCC3)c1.COC(=O)c1ccc2c(c1)CCCC2.COCCBr.COCCN1CCCc2ccc(CO)cc21.COCCN1CCCc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc21.COCCN1CCCc2ccc(Cn3cc(C(=O)O)cn3)cc21.OCc1ccc2c(c1)CCCC2.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol?

The InChIKey is LHSYSRMSZMSWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2.C19H25N3O3.C17H21N3O3.C13H19NO2.C12H14O2.C11H14O.C6H8N2O2.C3H7BrO/c1-17-11-24(26)29-18(2)22(17)14-27-25(32)21-13-28-31(16-21)15-19-6-7-20-5-4-8-30(9-10-33-3)23(20)12-19;1-3-25-19(23)17-12-20-22(14-17)13-15-6-7-16-5-4-8-21(9-10-24-2)18(16)11-15;1-23-8-7-19-6-2-3-14-5-4-13(9-16(14)19)11-20-12-15(10-18-20)17(21)22;1-16-8-7-14-6-2-3-12-5-4-11(10-15)9-13(12)14;1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11;12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-2-10-6(9)5-3-7-8-4-5;1-5-3-2-4/h6-7,11-13,16H,4-5,8-10,14-15H2,1-3H3,(H2,26,29)(H,27,32);6-7,11-12,14H,3-5,8-10,13H2,1-2H3;4-5,9-10,12H,2-3,6-8,11H2,1H3,(H,21,22);4-5,9,15H,2-3,6-8,10H2,1H3;6-8H,2-5H2,1H3;5-7,12H,1-4,8H2;3-4H,2H2,1H3,(H,7,8);2-3H2,1H3.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol has a molecular weight of 1960.28 g/mol, XLogP of 14.99, 31 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol is sourced from PubChem (CID 159354402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).