2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide

C105H106BClF4N16O13 — CID 159540044

About 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide

2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide (PubChem CID 159540044) has the molecular formula C105H106BClF4N16O13 and a molecular weight of 1922.36 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide.

Molecular Properties

• Compound Name: 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide
• PubChem CID: 159540044
• Molecular Formula: C105H106BClF4N16O13
• Molecular Weight: 1922.36 g/mol
• Exact Mass: 1920.78
• IUPAC Name: 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide
• SMILES: CC(C)(C)OC(=O)Nc1ccc(B(O)O)cc1F.CN(C)c1ccc2nc(-c3ccc(N)c(F)c3)ccc2c1.CN(C)c1ccc2nc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3)ccc2c1.CN(C=O)c1ccc2c(ccc[n+]2[O-])c1.CN(C=O)c1ccc2nc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3)ccc2c1.CN(C=O)c1ccc2nc(Cl)ccc2c1.CN(C=O)c1ccc2ncccc2c1
• InChI: InChI=1S/C22H22FN3O3.C22H24FN3O2.C17H16FN3.C11H15BFNO4.C11H9ClN2O.C11H10N2O2.C11H10N2O/c1-22(2,3)29-21(28)25-20-9-6-15(12-17(20)23)18-8-5-14-11-16(26(4)13-27)7-10-19(14)24-18;1-22(2,3)28-21(27)25-20-10-7-15(13-17(20)23)18-9-6-14-12-16(26(4)5)8-11-19(14)24-18;1-21(2)13-5-8-17-11(9-13)4-7-16(20-17)12-3-6-15(19)14(18)10-12;1-11(2,3)18-10(15)14-9-5-4-7(12(16)17)6-8(9)13;1-14(7-15)9-3-4-10-8(6-9)2-5-11(12)13-10;1-12(8-14)10-4-5-11-9(7-10)3-2-6-13(11)15;1-13(8-14)10-4-5-11-9(7-10)3-2-6-12-11/h5-13H,1-4H3,(H,25,28);6-13H,1-5H3,(H,25,27);3-10H,19H2,1-2H3;4-6,16-17H,1-3H3,(H,14,15);2-7H,1H3;2-8H,1H3;2-8H,1H3
• InChIKey: MEBUWAWLNMMLJB-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 360.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.36
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide?

The IUPAC name of 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide (CID 159540044) is 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide.

What is the SMILES notation for 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide?

The canonical SMILES for 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide is CC(C)(C)OC(=O)Nc1ccc(B(O)O)cc1F.CN(C)c1ccc2nc(-c3ccc(N)c(F)c3)ccc2c1.CN(C)c1ccc2nc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3)ccc2c1.CN(C=O)c1ccc2c(ccc[n+]2[O-])c1.CN(C=O)c1ccc2nc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3)ccc2c1.CN(C=O)c1ccc2nc(Cl)ccc2c1.CN(C=O)c1ccc2ncccc2c1.

What is the InChIKey of 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide?

The InChIKey is MEBUWAWLNMMLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3.C22H24FN3O2.C17H16FN3.C11H15BFNO4.C11H9ClN2O.C11H10N2O2.C11H10N2O/c1-22(2,3)29-21(28)25-20-9-6-15(12-17(20)23)18-8-5-14-11-16(26(4)13-27)7-10-19(14)24-18;1-22(2,3)28-21(27)25-20-10-7-15(13-17(20)23)18-9-6-14-12-16(26(4)5)8-11-19(14)24-18;1-21(2)13-5-8-17-11(9-13)4-7-16(20-17)12-3-6-15(19)14(18)10-12;1-11(2,3)18-10(15)14-9-5-4-7(12(16)17)6-8(9)13;1-14(7-15)9-3-4-10-8(6-9)2-5-11(12)13-10;1-12(8-14)10-4-5-11-9(7-10)3-2-6-13(11)15;1-13(8-14)10-4-5-11-9(7-10)3-2-6-12-11/h5-13H,1-4H3,(H,25,28);6-13H,1-5H3,(H,25,27);3-10H,19H2,1-2H3;4-6,16-17H,1-3H3,(H,14,15);2-7H,1H3;2-8H,1H3;2-8H,1H3.

What are the key properties of 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide?

2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide has a molecular weight of 1922.36 g/mol, XLogP of 20.35, 17 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-3-fluorophenyl)-N,N-dimethylquinolin-6-amine;tert-butyl N-[4-[6-(dimethylamino)quinolin-2-yl]-2-fluorophenyl]carbamate;tert-butyl N-[2-fluoro-4-[6-[formyl(methyl)amino]quinolin-2-yl]phenyl]carbamate;N-(2-chloroquinolin-6-yl)-N-methylformamide;[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;N-methyl-N-(1-oxidoquinolin-1-ium-6-yl)formamide;N-methyl-N-quinolin-6-ylformamide is sourced from PubChem (CID 159540044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).