6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine

C127H147BBr2Cl5N19O6 — CID 164980865

About 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine

6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine (PubChem CID 164980865) has the molecular formula C127H147BBr2Cl5N19O6 and a molecular weight of 2383.58 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine
• PubChem CID: 164980865
• Molecular Formula: C127H147BBr2Cl5N19O6
• Molecular Weight: 2383.58 g/mol
• Exact Mass: 2377.87
• IUPAC Name: 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine
• SMILES: CC(C)(C)OC(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1.Cc1nc(Cl)nc2ccc(Br)cc12.Cc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc12.Cc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccc(-c3cccc4c3CCNC4)cc12.Cc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccc(Br)cc12.NC1CCN(Cc2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C35H40ClN5O2.C30H32ClN5.C21H22BrClN4.C20H30BNO4.C12H17ClN2.C9H6BrClN2/c1-23-31-20-25(29-7-5-6-26-22-41(19-16-30(26)29)34(42)43-35(2,3)4)10-13-32(31)39-33(37-23)38-28-14-17-40(18-15-28)21-24-8-11-27(36)12-9-24;1-20-28-17-22(26-4-2-3-23-18-32-14-11-27(23)26)7-10-29(28)35-30(33-20)34-25-12-15-36(16-13-25)19-21-5-8-24(31)9-6-21;1-14-19-12-16(22)4-7-20(19)26-21(24-14)25-18-8-10-27(11-9-18)13-15-2-5-17(23)6-3-15;1-18(2,3)24-17(23)22-12-11-15-14(13-22)9-8-10-16(15)21-25-19(4,5)20(6,7)26-21;13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;1-5-7-4-6(10)2-3-8(7)13-9(11)12-5/h5-13,20,28H,14-19,21-22H2,1-4H3,(H,37,38,39);2-10,17,25,32H,11-16,18-19H2,1H3,(H,33,34,35);2-7,12,18H,8-11,13H2,1H3,(H,24,25,26);8-10H,11-13H2,1-7H3;1-4,12H,5-9,14H2;2-4H,1H3
• InChIKey: FLRMDPKKKQBODZ-UHFFFAOYSA-N
• XLogP: 27.94
• TPSA: 267.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2383.58
LogP ≤ 5	27.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine?

The IUPAC name of 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine (CID 164980865) is 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine.

What is the SMILES notation for 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine?

The canonical SMILES for 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine is CC(C)(C)OC(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1.Cc1nc(Cl)nc2ccc(Br)cc12.Cc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc12.Cc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccc(-c3cccc4c3CCNC4)cc12.Cc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccc(Br)cc12.NC1CCN(Cc2ccc(Cl)cc2)CC1.

What is the InChIKey of 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine?

The InChIKey is FLRMDPKKKQBODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40ClN5O2.C30H32ClN5.C21H22BrClN4.C20H30BNO4.C12H17ClN2.C9H6BrClN2/c1-23-31-20-25(29-7-5-6-26-22-41(19-16-30(26)29)34(42)43-35(2,3)4)10-13-32(31)39-33(37-23)38-28-14-17-40(18-15-28)21-24-8-11-27(36)12-9-24;1-20-28-17-22(26-4-2-3-23-18-32-14-11-27(23)26)7-10-29(28)35-30(33-20)34-25-12-15-36(16-13-25)19-21-5-8-24(31)9-6-21;1-14-19-12-16(22)4-7-20(19)26-21(24-14)25-18-8-10-27(11-9-18)13-15-2-5-17(23)6-3-15;1-18(2,3)24-17(23)22-12-11-15-14(13-22)9-8-10-16(15)21-25-19(4,5)20(6,7)26-21;13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;1-5-7-4-6(10)2-3-8(7)13-9(11)12-5/h5-13,20,28H,14-19,21-22H2,1-4H3,(H,37,38,39);2-10,17,25,32H,11-16,18-19H2,1H3,(H,33,34,35);2-7,12,18H,8-11,13H2,1H3,(H,24,25,26);8-10H,11-13H2,1-7H3;1-4,12H,5-9,14H2;2-4H,1H3.

What are the key properties of 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine?

6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine has a molecular weight of 2383.58 g/mol, XLogP of 27.94, 17 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine;tert-butyl 5-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[(4-chlorophenyl)methyl]piperidin-4-amine;N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-2-amine is sourced from PubChem (CID 164980865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).