4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one

C149H184FN17O16 — CID 160768224

IUPAC4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(COc2cc3c(NC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)CC1.CCCC(=O)N1CCC(COc2cc3c(NCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2CO)CC1.CCCC(=O)N1CCC(COc2ccc3ncc(C(=O)NC(C)(C)C)c(Nc4ccccc4)c3c2)CC1.CCCC(=O)N1CCC(COc2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)CC1.CCCC(=O)c1cnc2ccc(OCC3CCN(C(=O)CCC)CC3)cc2c1Nc1ccccc1
InChIInChI=1S/C32H39N3O4.C30H38N4O3.C29H36FN3O3.C29H36N4O3.C29H35N3O3/c1-2-6-31(38)35-13-11-24(12-14-35)21-39-30-17-26-28(16-25(30)20-36)33-19-27(29(37)15-22-9-10-22)32(26)34-18-23-7-4-3-5-8-23;1-5-9-27(35)34-16-14-21(15-17-34)20-37-23-12-13-26-24(18-23)28(32-22-10-7-6-8-11-22)25(19-31-26)29(36)33-30(2,3)4;1-2-3-27(35)33-8-6-18(7-9-33)16-36-26-13-21-24(14-23(26)30)31-15-22(25(34)10-17-4-5-17)29(21)32-28-19-11-20(28)12-19;1-4-8-27(34)33-15-13-21(14-16-33)19-36-23-11-12-26-24(17-23)28(32-22-9-6-5-7-10-22)25(18-30-26)29(35)31-20(2)3;1-3-8-27(33)25-19-30-26-13-12-23(18-24(26)29(25)31-22-10-6-5-7-11-22)35-20-21-14-16-32(17-15-21)28(34)9-4-2/h3-5,7-8,16-17,19,22,24,36H,2,6,9-15,18,20-21H2,1H3,(H,33,34);6-8,10-13,18-19,21H,5,9,14-17,20H2,1-4H3,(H,31,32)(H,33,36);13-15,17-20,28H,2-12,16H2,1H3,(H,31,32);5-7,9-12,17-18,20-21H,4,8,13-16,19H2,1-3H3,(H,30,32)(H,31,35);5-7,10-13,18-19,21H,3-4,8-9,14-17,20H2,1-2H3,(H,30,31)
InChIKeyRYYUBOKTHQTUKE-UHFFFAOYSA-N
MW2488.21 g/mol
LogP29.17
Rot. Bonds49

About 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one

4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one (PubChem CID 160768224) has the molecular formula C149H184FN17O16 and a molecular weight of 2488.21 g/mol. Its IUPAC name is 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one
PubChem CID160768224
Molecular FormulaC149H184FN17O16
Molecular Weight2488.21 g/mol
Exact Mass2486.41
IUPAC Name4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(COc2cc3c(NC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)CC1.CCCC(=O)N1CCC(COc2cc3c(NCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2CO)CC1.CCCC(=O)N1CCC(COc2ccc3ncc(C(=O)NC(C)(C)C)c(Nc4ccccc4)c3c2)CC1.CCCC(=O)N1CCC(COc2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)CC1.CCCC(=O)c1cnc2ccc(OCC3CCN(C(=O)CCC)CC3)cc2c1Nc1ccccc1
InChIInChI=1S/C32H39N3O4.C30H38N4O3.C29H36FN3O3.C29H36N4O3.C29H35N3O3/c1-2-6-31(38)35-13-11-24(12-14-35)21-39-30-17-26-28(16-25(30)20-36)33-19-27(29(37)15-22-9-10-22)32(26)34-18-23-7-4-3-5-8-23;1-5-9-27(35)34-16-14-21(15-17-34)20-37-23-12-13-26-24(18-23)28(32-22-10-7-6-8-11-22)25(19-31-26)29(36)33-30(2,3)4;1-2-3-27(35)33-8-6-18(7-9-33)16-36-26-13-21-24(14-23(26)30)31-15-22(25(34)10-17-4-5-17)29(21)32-28-19-11-20(28)12-19;1-4-8-27(34)33-15-13-21(14-16-33)19-36-23-11-12-26-24(17-23)28(32-22-9-6-5-7-10-22)25(18-30-26)29(35)31-20(2)3;1-3-8-27(33)25-19-30-26-13-12-23(18-24(26)29(25)31-22-10-6-5-7-11-22)35-20-21-14-16-32(17-15-21)28(34)9-4-2/h3-5,7-8,16-17,19,22,24,36H,2,6,9-15,18,20-21H2,1H3,(H,33,34);6-8,10-13,18-19,21H,5,9,14-17,20H2,1-4H3,(H,31,32)(H,33,36);13-15,17-20,28H,2-12,16H2,1H3,(H,31,32);5-7,9-12,17-18,20-21H,4,8,13-16,19H2,1-3H3,(H,30,32)(H,31,35);5-7,10-13,18-19,21H,3-4,8-9,14-17,20H2,1-2H3,(H,30,31)
InChIKeyRYYUBOKTHQTUKE-UHFFFAOYSA-N
XLogP29.17
TPSA401.94 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds49
Heavy Atoms183
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002488.21
LogP ≤ 529.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one (CID 160768224) is 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(COc2cc3c(NC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)CC1.CCCC(=O)N1CCC(COc2cc3c(NCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2CO)CC1.CCCC(=O)N1CCC(COc2ccc3ncc(C(=O)NC(C)(C)C)c(Nc4ccccc4)c3c2)CC1.CCCC(=O)N1CCC(COc2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)CC1.CCCC(=O)c1cnc2ccc(OCC3CCN(C(=O)CCC)CC3)cc2c1Nc1ccccc1.
What is the InChIKey of 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one?
The InChIKey is RYYUBOKTHQTUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O4.C30H38N4O3.C29H36FN3O3.C29H36N4O3.C29H35N3O3/c1-2-6-31(38)35-13-11-24(12-14-35)21-39-30-17-26-28(16-25(30)20-36)33-19-27(29(37)15-22-9-10-22)32(26)34-18-23-7-4-3-5-8-23;1-5-9-27(35)34-16-14-21(15-17-34)20-37-23-12-13-26-24(18-23)28(32-22-10-7-6-8-11-22)25(19-31-26)29(36)33-30(2,3)4;1-2-3-27(35)33-8-6-18(7-9-33)16-36-26-13-21-24(14-23(26)30)31-15-22(25(34)10-17-4-5-17)29(21)32-28-19-11-20(28)12-19;1-4-8-27(34)33-15-13-21(14-16-33)19-36-23-11-12-26-24(17-23)28(32-22-9-6-5-7-10-22)25(18-30-26)29(35)31-20(2)3;1-3-8-27(33)25-19-30-26-13-12-23(18-24(26)29(25)31-22-10-6-5-7-11-22)35-20-21-14-16-32(17-15-21)28(34)9-4-2/h3-5,7-8,16-17,19,22,24,36H,2,6,9-15,18,20-21H2,1H3,(H,33,34);6-8,10-13,18-19,21H,5,9,14-17,20H2,1-4H3,(H,31,32)(H,33,36);13-15,17-20,28H,2-12,16H2,1H3,(H,31,32);5-7,9-12,17-18,20-21H,4,8,13-16,19H2,1-3H3,(H,30,32)(H,31,35);5-7,10-13,18-19,21H,3-4,8-9,14-17,20H2,1-2H3,(H,30,31).
What are the key properties of 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one?
4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one has a molecular weight of 2488.21 g/mol, XLogP of 29.17, 49 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-tert-butylquinoline-3-carboxamide;4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[(1-butanoylpiperidin-4-yl)methoxy]quinolin-3-yl]butan-1-one;1-[4-[[4-(benzylamino)-3-(2-cyclopropylacetyl)-7-(hydroxymethyl)quinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one;1-[4-[[4-(2-bicyclo[1.1.1]pentanylamino)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]oxymethyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 160768224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).