(5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride

C88H119Cl4F4N15O8 — CID 159719699

About (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride

(5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride (PubChem CID 159719699) has the molecular formula C88H119Cl4F4N15O8 and a molecular weight of 1732.82 g/mol. Its IUPAC name is (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride.

Molecular Properties

• Compound Name: (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride
• PubChem CID: 159719699
• Molecular Formula: C88H119Cl4F4N15O8
• Molecular Weight: 1732.82 g/mol
• Exact Mass: 1729.81
• IUPAC Name: (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride
• SMILES: CC.CCCC[C@@H](N)CCC(C)=O.CCCC[C@H](CCC(C)=O)Nc1nc(Cl)nc2cc(F)ccc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2cc(F)ccc12.CCCC[C@H](CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)ccc12.COc1ccc(CN)c(OC)c1.Cl.Fc1ccc2c(Cl)nc(Cl)nc2c1
• InChI: InChI=1S/C26H33FN4O3.C17H21ClFN3O.C17H23FN4O.C9H13NO2.C9H19NO.C8H3Cl2FN2.C2H6.ClH/c1-5-6-7-20(11-8-17(2)32)29-25-22-13-10-19(27)14-23(22)30-26(31-25)28-16-18-9-12-21(33-3)15-24(18)34-4;1-3-4-5-13(8-6-11(2)23)20-16-14-9-7-12(19)10-15(14)21-17(18)22-16;1-3-4-5-13(8-6-11(2)23)20-16-14-9-7-12(18)10-15(14)21-17(19)22-16;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-4-5-9(10)7-6-8(2)11;9-7-5-2-1-4(11)3-6(5)12-8(10)13-7;1-2;/h9-10,12-15,20H,5-8,11,16H2,1-4H3,(H2,28,29,30,31);7,9-10,13H,3-6,8H2,1-2H3,(H,20,21,22);7,9-10,13H,3-6,8H2,1-2H3,(H3,19,20,21,22);3-5H,6,10H2,1-2H3;9H,3-7,10H2,1-2H3;1-3H;1-2H3;1H/t20-;2*13-;;9-;;;/m111.1.../s1
• InChIKey: VEPRMBHGCVLNDV-CPWJTJJUSA-N
• XLogP: 21.75
• TPSA: 334.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 38
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1732.82
LogP ≤ 5	21.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride?

The IUPAC name of (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride (CID 159719699) is (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride.

What is the SMILES notation for (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride?

The canonical SMILES for (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride is CC.CCCC[C@@H](N)CCC(C)=O.CCCC[C@H](CCC(C)=O)Nc1nc(Cl)nc2cc(F)ccc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2cc(F)ccc12.CCCC[C@H](CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)ccc12.COc1ccc(CN)c(OC)c1.Cl.Fc1ccc2c(Cl)nc(Cl)nc2c1.

What is the InChIKey of (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride?

The InChIKey is VEPRMBHGCVLNDV-CPWJTJJUSA-N. The full InChI is InChI=1S/C26H33FN4O3.C17H21ClFN3O.C17H23FN4O.C9H13NO2.C9H19NO.C8H3Cl2FN2.C2H6.ClH/c1-5-6-7-20(11-8-17(2)32)29-25-22-13-10-19(27)14-23(22)30-26(31-25)28-16-18-9-12-21(33-3)15-24(18)34-4;1-3-4-5-13(8-6-11(2)23)20-16-14-9-7-12(19)10-15(14)21-17(18)22-16;1-3-4-5-13(8-6-11(2)23)20-16-14-9-7-12(18)10-15(14)21-17(19)22-16;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-4-5-9(10)7-6-8(2)11;9-7-5-2-1-4(11)3-6(5)12-8(10)13-7;1-2;/h9-10,12-15,20H,5-8,11,16H2,1-4H3,(H2,28,29,30,31);7,9-10,13H,3-6,8H2,1-2H3,(H,20,21,22);7,9-10,13H,3-6,8H2,1-2H3,(H3,19,20,21,22);3-5H,6,10H2,1-2H3;9H,3-7,10H2,1-2H3;1-3H;1-2H3;1H/t20-;2*13-;;9-;;;/m111.1.../s1.

What are the key properties of (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride?

(5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride has a molecular weight of 1732.82 g/mol, XLogP of 21.75, 38 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]nonan-2-one;(5R)-5-aminononan-2-one;(5R)-5-[(2-chloro-7-fluoroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]nonan-2-one;ethane;hydrochloride is sourced from PubChem (CID 159719699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).