N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide)

C155H176FN21O31 — CID 162204687

About N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide)

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide) (PubChem CID 162204687) has the molecular formula C155H176FN21O31 and a molecular weight of 2848.23 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide).

Molecular Properties

• Compound Name: N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide)
• PubChem CID: 162204687
• Molecular Formula: C155H176FN21O31
• Molecular Weight: 2848.23 g/mol
• Exact Mass: 2846.28
• IUPAC Name: N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide)
• SMILES: CCC(CC)C(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.CCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc(C)c(O)c3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc4c(c3)OCCO4)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3F)cccc2n1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C23H25N3O4.C22H25N3O3.2C22H25N3O2.C21H22FN3O2.C20H29N3O2.C18H25N3O2.7CO2/c1-14-11-16(24)21-17(25-14)5-4-6-19(21)30-13-23(2,3)26-22(27)15-7-8-18-20(12-15)29-10-9-28-18;1-13-8-9-15(11-18(13)26)21(27)25-22(3,4)12-28-19-7-5-6-17-20(19)16(23)10-14(2)24-17;2*1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18;1-13-11-16(23)19-17(24-13)9-6-10-18(19)27-12-21(2,3)25-20(26)14-7-4-5-8-15(14)22;1-6-14(7-2)19(24)23-20(4,5)12-25-17-10-8-9-16-18(17)15(21)11-13(3)22-16;1-5-7-16(22)21-18(3,4)11-23-15-9-6-8-14-17(15)13(19)10-12(2)20-14;7*2-1-3/h4-8,11-12H,9-10,13H2,1-3H3,(H2,24,25)(H,26,27);5-11,26H,12H2,1-4H3,(H2,23,24)(H,25,27);2*5-12H,13H2,1-4H3,(H2,23,24)(H,25,26);4-11H,12H2,1-3H3,(H2,23,24)(H,25,26);8-11,14H,6-7,12H2,1-5H3,(H2,21,22)(H,23,24);6,8-10H,5,7,11H2,1-4H3,(H2,19,20)(H,21,22)
• InChIKey: ZSAMTHUYXKSWSO-UHFFFAOYSA-N
• XLogP: 22.06
• TPSA: 818.35 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 45
• Rotatable Bonds: 38
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2848.23
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide)?

The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide) (CID 162204687) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide).

What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide)?

The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide) is CCC(CC)C(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.CCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc(C)c(O)c3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc4c(c3)OCCO4)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3F)cccc2n1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide)?

The InChIKey is ZSAMTHUYXKSWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4.C22H25N3O3.2C22H25N3O2.C21H22FN3O2.C20H29N3O2.C18H25N3O2.7CO2/c1-14-11-16(24)21-17(25-14)5-4-6-19(21)30-13-23(2,3)26-22(27)15-7-8-18-20(12-15)29-10-9-28-18;1-13-8-9-15(11-18(13)26)21(27)25-22(3,4)12-28-19-7-5-6-17-20(19)16(23)10-14(2)24-17;2*1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18;1-13-11-16(23)19-17(24-13)9-6-10-18(19)27-12-21(2,3)25-20(26)14-7-4-5-8-15(14)22;1-6-14(7-2)19(24)23-20(4,5)12-25-17-10-8-9-16-18(17)15(21)11-13(3)22-16;1-5-7-16(22)21-18(3,4)11-23-15-9-6-8-14-17(15)13(19)10-12(2)20-14;7*2-1-3/h4-8,11-12H,9-10,13H2,1-3H3,(H2,24,25)(H,26,27);5-11,26H,12H2,1-4H3,(H2,23,24)(H,25,27);2*5-12H,13H2,1-4H3,(H2,23,24)(H,25,26);4-11H,12H2,1-3H3,(H2,23,24)(H,25,26);8-11,14H,6-7,12H2,1-5H3,(H2,21,22)(H,23,24);6,8-10H,5,7,11H2,1-4H3,(H2,19,20)(H,21,22);;;;;;;.

What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide)?

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide) has a molecular weight of 2848.23 g/mol, XLogP of 22.06, 38 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide) is sourced from PubChem (CID 162204687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).