tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide

C165H185BClF9N14O20 — CID 160793174

About tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide

tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide (PubChem CID 160793174) has the molecular formula C165H185BClF9N14O20 and a molecular weight of 2901.62 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide
• PubChem CID: 160793174
• Molecular Formula: C165H185BClF9N14O20
• Molecular Weight: 2901.62 g/mol
• Exact Mass: 2899.35
• IUPAC Name: tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide
• SMILES: CCC(CC)Oc1ccc2ccc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1.CCC(CC)Oc1ccc2ccc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3)nc2c1.CCC(CC)Oc1ccc2ccc(-c3ccc(NC)cc3)nc2c1.CCC(CC)Oc1ccc2ccc(Cl)nc2c1.CCC(CO)Oc1ccc2ccc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1.CCC(CO)Oc1ccc2ccc(-c3ccc(NC)cc3)nc2c1.CN(C(=O)C(F)(F)F)c1ccc(-c2ccc3ccc(OC(CO)CO)cc3n2)cc1.CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
• InChI: InChI=1S/C26H32N2O3.C23H23F3N2O2.C22H21F3N2O3.C21H19F3N2O4.C21H24N2O.C20H22N2O2.C18H28BNO4.C14H16ClNO/c1-7-21(8-2)30-22-15-11-19-12-16-23(27-24(19)17-22)18-9-13-20(14-10-18)28(6)25(29)31-26(3,4)5;1-4-18(5-2)30-19-12-8-16-9-13-20(27-21(16)14-19)15-6-10-17(11-7-15)28(3)22(29)23(24,25)26;1-3-17(13-28)30-18-10-6-15-7-11-19(26-20(15)12-18)14-4-8-16(9-5-14)27(2)21(29)22(23,24)25;1-26(20(29)21(22,23)24)15-6-2-13(3-7-15)18-9-5-14-4-8-16(10-19(14)25-18)30-17(11-27)12-28;1-4-18(5-2)24-19-12-8-16-9-13-20(23-21(16)14-19)15-6-10-17(22-3)11-7-15;1-3-17(13-23)24-18-10-6-15-7-11-19(22-20(15)12-18)14-4-8-16(21-2)9-5-14;1-16(2,3)22-15(21)20(8)14-11-9-13(10-12-14)19-23-17(4,5)18(6,7)24-19;1-3-11(4-2)17-12-7-5-10-6-8-14(15)16-13(10)9-12/h9-17,21H,7-8H2,1-6H3;6-14,18H,4-5H2,1-3H3;4-12,17,28H,3,13H2,1-2H3;2-10,17,27-28H,11-12H2,1H3;6-14,18,22H,4-5H2,1-3H3;4-12,17,21,23H,3,13H2,1-2H3;9-12H,1-8H3;5-9,11H,3-4H2,1-2H3
• InChIKey: SCCAMVSIBUPATA-UHFFFAOYSA-N
• XLogP: 37.99
• TPSA: 398.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 42
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2901.62
LogP ≤ 5	37.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide?

The IUPAC name of tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide (CID 160793174) is tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide.

What is the SMILES notation for tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide?

The canonical SMILES for tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide is CCC(CC)Oc1ccc2ccc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1.CCC(CC)Oc1ccc2ccc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3)nc2c1.CCC(CC)Oc1ccc2ccc(-c3ccc(NC)cc3)nc2c1.CCC(CC)Oc1ccc2ccc(Cl)nc2c1.CCC(CO)Oc1ccc2ccc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1.CCC(CO)Oc1ccc2ccc(-c3ccc(NC)cc3)nc2c1.CN(C(=O)C(F)(F)F)c1ccc(-c2ccc3ccc(OC(CO)CO)cc3n2)cc1.CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.

What is the InChIKey of tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide?

The InChIKey is SCCAMVSIBUPATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3.C23H23F3N2O2.C22H21F3N2O3.C21H19F3N2O4.C21H24N2O.C20H22N2O2.C18H28BNO4.C14H16ClNO/c1-7-21(8-2)30-22-15-11-19-12-16-23(27-24(19)17-22)18-9-13-20(14-10-18)28(6)25(29)31-26(3,4)5;1-4-18(5-2)30-19-12-8-16-9-13-20(27-21(16)14-19)15-6-10-17(11-7-15)28(3)22(29)23(24,25)26;1-3-17(13-28)30-18-10-6-15-7-11-19(26-20(15)12-18)14-4-8-16(9-5-14)27(2)21(29)22(23,24)25;1-26(20(29)21(22,23)24)15-6-2-13(3-7-15)18-9-5-14-4-8-16(10-19(14)25-18)30-17(11-27)12-28;1-4-18(5-2)24-19-12-8-16-9-13-20(23-21(16)14-19)15-6-10-17(22-3)11-7-15;1-3-17(13-23)24-18-10-6-15-7-11-19(22-20(15)12-18)14-4-8-16(21-2)9-5-14;1-16(2,3)22-15(21)20(8)14-11-9-13(10-12-14)19-23-17(4,5)18(6,7)24-19;1-3-11(4-2)17-12-7-5-10-6-8-14(15)16-13(10)9-12/h9-17,21H,7-8H2,1-6H3;6-14,18H,4-5H2,1-3H3;4-12,17,28H,3,13H2,1-2H3;2-10,17,27-28H,11-12H2,1H3;6-14,18,22H,4-5H2,1-3H3;4-12,17,21,23H,3,13H2,1-2H3;9-12H,1-8H3;5-9,11H,3-4H2,1-2H3.

What are the key properties of tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide?

tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide has a molecular weight of 2901.62 g/mol, XLogP of 37.99, 42 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-7-pentan-3-yloxyquinoline;N-[4-[7-(1,3-dihydroxypropan-2-yloxy)quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxybutan-1-ol;N-methyl-4-(7-pentan-3-yloxyquinolin-2-yl)aniline;2,2,2-trifluoro-N-[4-[7-(1-hydroxybutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-(7-pentan-3-yloxyquinolin-2-yl)phenyl]acetamide is sourced from PubChem (CID 160793174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).