tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride

C111H117Cl2F3N20O13 — CID 161051103

About tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride

tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride (PubChem CID 161051103) has the molecular formula C111H117Cl2F3N20O13 and a molecular weight of 2068.19 g/mol. Its IUPAC name is tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride
• PubChem CID: 161051103
• Molecular Formula: C111H117Cl2F3N20O13
• Molecular Weight: 2068.19 g/mol
• Exact Mass: 2065.85
• IUPAC Name: tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccccn2)c2ccccc21.CC(C)(C)OC(=O)N1CCNc2ccccc21.COc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1.COc1ccc(CNc2nc3c(F)cccc3c3nc(CN4CCN(C(=O)Cc5ccccn5)c5ccccc54)cn23)c(OC)c1.Cl.O=C(Cc1ccccn1)N1CCNc2ccccc21.O=C(O)Cc1ccccn1.[2H]CF
• InChI: InChI=1S/C35H32FN7O3.C20H18ClFN4O2.C20H23N3O3.C15H15N3O.C13H18N2O2.C7H7NO2.CH3F.ClH/c1-45-26-14-13-23(31(19-26)46-2)20-38-35-40-33-27(9-7-10-28(33)36)34-39-25(22-43(34)35)21-41-16-17-42(30-12-4-3-11-29(30)41)32(44)18-24-8-5-6-15-37-24;1-27-14-7-6-12(17(8-14)28-2)10-23-20-25-18-15(4-3-5-16(18)22)19-24-13(9-21)11-26(19)20;1-20(2,3)26-19(25)23-13-12-22(16-9-4-5-10-17(16)23)18(24)14-15-8-6-7-11-21-15;19-15(11-12-5-3-4-8-16-12)18-10-9-17-13-6-1-2-7-14(13)18;1-13(2,3)17-12(16)15-9-8-14-10-6-4-5-7-11(10)15;9-7(10)5-6-3-1-2-4-8-6;1-2;/h3-15,19,22H,16-18,20-21H2,1-2H3,(H,38,40);3-8,11H,9-10H2,1-2H3,(H,23,25);4-11H,12-14H2,1-3H3;1-8,17H,9-11H2;4-7,14H,8-9H2,1-3H3;1-4H,5H2,(H,9,10);1H3;1H/i;;;;;;1D
• InChIKey: CKHDMWHKPBIVSL-IDEIXCOCSA-N
• XLogP: 20.10
• TPSA: 357.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2068.19
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride?

The IUPAC name of tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride (CID 161051103) is tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride.

What is the SMILES notation for tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride?

The canonical SMILES for tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride is CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccccn2)c2ccccc21.CC(C)(C)OC(=O)N1CCNc2ccccc21.COc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1.COc1ccc(CNc2nc3c(F)cccc3c3nc(CN4CCN(C(=O)Cc5ccccn5)c5ccccc54)cn23)c(OC)c1.Cl.O=C(Cc1ccccn1)N1CCNc2ccccc21.O=C(O)Cc1ccccn1.[2H]CF.

What is the InChIKey of tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride?

The InChIKey is CKHDMWHKPBIVSL-IDEIXCOCSA-N. The full InChI is InChI=1S/C35H32FN7O3.C20H18ClFN4O2.C20H23N3O3.C15H15N3O.C13H18N2O2.C7H7NO2.CH3F.ClH/c1-45-26-14-13-23(31(19-26)46-2)20-38-35-40-33-27(9-7-10-28(33)36)34-39-25(22-43(34)35)21-41-16-17-42(30-12-4-3-11-29(30)41)32(44)18-24-8-5-6-15-37-24;1-27-14-7-6-12(17(8-14)28-2)10-23-20-25-18-15(4-3-5-16(18)22)19-24-13(9-21)11-26(19)20;1-20(2,3)26-19(25)23-13-12-22(16-9-4-5-10-17(16)23)18(24)14-15-8-6-7-11-21-15;19-15(11-12-5-3-4-8-16-12)18-10-9-17-13-6-1-2-7-14(13)18;1-13(2,3)17-12(16)15-9-8-14-10-6-4-5-7-11(10)15;9-7(10)5-6-3-1-2-4-8-6;1-2;/h3-15,19,22H,16-18,20-21H2,1-2H3,(H,38,40);3-8,11H,9-10H2,1-2H3,(H,23,25);4-11H,12-14H2,1-3H3;1-8,17H,9-11H2;4-7,14H,8-9H2,1-3H3;1-4H,5H2,(H,9,10);1H3;1H/i;;;;;;1D;.

What are the key properties of tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride?

tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride has a molecular weight of 2068.19 g/mol, XLogP of 20.10, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate;tert-butyl 4-(2-pyridin-2-ylacetyl)-2,3-dihydroquinoxaline-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;deuterio(fluoro)methane;1-(3,4-dihydro-2H-quinoxalin-1-yl)-2-pyridin-2-ylethanone;1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone;2-pyridin-2-ylacetic acid;hydrochloride is sourced from PubChem (CID 161051103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).