acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine

C58H62Cl5N11O2 — CID 158399349

About acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine

acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine (PubChem CID 158399349) has the molecular formula C58H62Cl5N11O2 and a molecular weight of 1122.47 g/mol. Its IUPAC name is acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine
• PubChem CID: 158399349
• Molecular Formula: C58H62Cl5N11O2
• Molecular Weight: 1122.47 g/mol
• Exact Mass: 1119.35
• IUPAC Name: acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine
• SMILES: CC#N.C[C@@H]1CN(Cc2nc(Cl)c3ccc(-c4ncccc4Cl)cc3n2)C[C@@H](C)O1.C[C@@H]1CN(Cc2nc(NCCc3ccccc3Cl)c3ccc(-c4ncccc4Cl)cc3n2)C[C@@H](C)O1.NCCc1ccccc1Cl
• InChI: InChI=1S/C28H29Cl2N5O.C20H20Cl2N4O.C8H10ClN.C2H3N/c1-18-15-35(16-19(2)36-18)17-26-33-25-14-21(27-24(30)8-5-12-31-27)9-10-22(25)28(34-26)32-13-11-20-6-3-4-7-23(20)29;1-12-9-26(10-13(2)27-12)11-18-24-17-8-14(5-6-15(17)20(22)25-18)19-16(21)4-3-7-23-19;9-8-4-2-1-3-7(8)5-6-10;1-2-3/h3-10,12,14,18-19H,11,13,15-17H2,1-2H3,(H,32,33,34);3-8,12-13H,9-11H2,1-2H3;1-4H,5-6,10H2;1H3/t18-,19-;12-,13-;;/m11../s1
• InChIKey: GXXHYEVOHFEBLC-ZFBNWGLQSA-N
• XLogP: 13.24
• TPSA: 164.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1122.47
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine?

The IUPAC name of acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine (CID 158399349) is acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine.

What is the SMILES notation for acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine?

The canonical SMILES for acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine is CC#N.C[C@@H]1CN(Cc2nc(Cl)c3ccc(-c4ncccc4Cl)cc3n2)C[C@@H](C)O1.C[C@@H]1CN(Cc2nc(NCCc3ccccc3Cl)c3ccc(-c4ncccc4Cl)cc3n2)C[C@@H](C)O1.NCCc1ccccc1Cl.

What is the InChIKey of acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine?

The InChIKey is GXXHYEVOHFEBLC-ZFBNWGLQSA-N. The full InChI is InChI=1S/C28H29Cl2N5O.C20H20Cl2N4O.C8H10ClN.C2H3N/c1-18-15-35(16-19(2)36-18)17-26-33-25-14-21(27-24(30)8-5-12-31-27)9-10-22(25)28(34-26)32-13-11-20-6-3-4-7-23(20)29;1-12-9-26(10-13(2)27-12)11-18-24-17-8-14(5-6-15(17)20(22)25-18)19-16(21)4-3-7-23-19;9-8-4-2-1-3-7(8)5-6-10;1-2-3/h3-10,12,14,18-19H,11,13,15-17H2,1-2H3,(H,32,33,34);3-8,12-13H,9-11H2,1-2H3;1-4H,5-6,10H2;1H3/t18-,19-;12-,13-;;/m11../s1.

What are the key properties of acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine?

acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine has a molecular weight of 1122.47 g/mol, XLogP of 13.24, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 158399349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).