1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine

C104H141BrN20O4 — CID 158164507

About 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine

1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine (PubChem CID 158164507) has the molecular formula C104H141BrN20O4 and a molecular weight of 1815.31 g/mol. Its IUPAC name is 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine.

Molecular Properties

• Compound Name: 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine
• PubChem CID: 158164507
• Molecular Formula: C104H141BrN20O4
• Molecular Weight: 1815.31 g/mol
• Exact Mass: 1813.06
• IUPAC Name: 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine
• SMILES: CCCBr.CCCN(C)c1ccc2nc(N(C)C)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCN(CCC)c1ccc2nc(N(C)C)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCNc1ccc2nc(N(C)C)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(N(C)C)nc3ccc(N)cc23)CC1
• InChI: InChI=1S/C28H39N5O.C26H35N5O.C25H33N5O.C22H27N5O.C3H7Br/c1-6-16-32(17-7-2)22-12-13-25-24(20-22)27(30-28(29-25)31(3)4)33-18-14-21(15-19-33)23-10-8-9-11-26(23)34-5;1-6-15-30(4)20-11-12-23-22(18-20)25(28-26(27-23)29(2)3)31-16-13-19(14-17-31)21-9-7-8-10-24(21)32-5;1-5-14-26-19-10-11-22-21(17-19)24(28-25(27-22)29(2)3)30-15-12-18(13-16-30)20-8-6-7-9-23(20)31-4;1-26(2)22-24-19-9-8-16(23)14-18(19)21(25-22)27-12-10-15(11-13-27)17-6-4-5-7-20(17)28-3;1-2-3-4/h8-13,20-21H,6-7,14-19H2,1-5H3;7-12,18-19H,6,13-17H2,1-5H3;6-11,17-18,26H,5,12-16H2,1-4H3;4-9,14-15H,10-13,23H2,1-3H3;2-3H2,1H3
• InChIKey: FWRGLWWUSOIHAM-UHFFFAOYSA-N
• XLogP: 21.02
• TPSA: 210.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1815.31
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine?

The IUPAC name of 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine (CID 158164507) is 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine.

What is the SMILES notation for 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine?

The canonical SMILES for 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine is CCCBr.CCCN(C)c1ccc2nc(N(C)C)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCN(CCC)c1ccc2nc(N(C)C)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCNc1ccc2nc(N(C)C)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(N(C)C)nc3ccc(N)cc23)CC1.

What is the InChIKey of 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine?

The InChIKey is FWRGLWWUSOIHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O.C26H35N5O.C25H33N5O.C22H27N5O.C3H7Br/c1-6-16-32(17-7-2)22-12-13-25-24(20-22)27(30-28(29-25)31(3)4)33-18-14-21(15-19-33)23-10-8-9-11-26(23)34-5;1-6-15-30(4)20-11-12-23-22(18-20)25(28-26(27-23)29(2)3)31-16-13-19(14-17-31)21-9-7-8-10-24(21)32-5;1-5-14-26-19-10-11-22-21(17-19)24(28-25(27-22)29(2)3)30-15-12-18(13-16-30)20-8-6-7-9-23(20)31-4;1-26(2)22-24-19-9-8-16(23)14-18(19)21(25-22)27-12-10-15(11-13-27)17-6-4-5-7-20(17)28-3;1-2-3-4/h8-13,20-21H,6-7,14-19H2,1-5H3;7-12,18-19H,6,13-17H2,1-5H3;6-11,17-18,26H,5,12-16H2,1-4H3;4-9,14-15H,10-13,23H2,1-3H3;2-3H2,1H3.

What are the key properties of 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine?

1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine has a molecular weight of 1815.31 g/mol, XLogP of 21.02, 28 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromopropane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N,6-N-dipropylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethyl-6-N-propylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N-dimethylquinazoline-2,6-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-N,2-N,6-N-trimethyl-6-N-propylquinazoline-2,6-diamine is sourced from PubChem (CID 158164507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).