(5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride

C92H123Cl4F8N15O8 — CID 159340357

About (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride

(5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride (PubChem CID 159340357) has the molecular formula C92H123Cl4F8N15O8 and a molecular weight of 1860.89 g/mol. Its IUPAC name is (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride.

Molecular Properties

• Compound Name: (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride
• PubChem CID: 159340357
• Molecular Formula: C92H123Cl4F8N15O8
• Molecular Weight: 1860.89 g/mol
• Exact Mass: 1857.83
• IUPAC Name: (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride
• SMILES: CC.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2cc(F)c(F)cc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)c(F)cc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)c(F)cc12.COc1ccc(CN)c(OC)c1.Cl.Fc1cc2nc(Cl)nc(Cl)c2cc1F
• InChI: InChI=1S/C27H34F2N4O3.C18H22ClF2N3O.C18H24F2N4O.C10H21NO.C9H13NO2.C8H2Cl2F2N2.C2H6.ClH/c1-6-7-11-27(3,12-10-17(2)34)33-25-20-14-21(28)22(29)15-23(20)31-26(32-25)30-16-18-8-9-19(35-4)13-24(18)36-5;1-4-5-7-18(3,8-6-11(2)25)24-16-12-9-13(20)14(21)10-15(12)22-17(19)23-16;1-4-5-7-18(3,8-6-11(2)25)24-16-12-9-13(19)14(20)10-15(12)22-17(21)23-16;1-4-5-7-10(3,11)8-6-9(2)12;1-11-8-4-3-7(6-10)9(5-8)12-2;9-7-3-1-4(11)5(12)2-6(3)13-8(10)14-7;1-2;/h8-9,13-15H,6-7,10-12,16H2,1-5H3,(H2,30,31,32,33);9-10H,4-8H2,1-3H3,(H,22,23,24);9-10H,4-8H2,1-3H3,(H3,21,22,23,24);4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-2H;1-2H3;1H/t27-;2*18-;10-;;;;/m1111..../s1
• InChIKey: RBGOOCFKKOCRMZ-ZOIMVBTDSA-N
• XLogP: 23.87
• TPSA: 334.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 38
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1860.89
LogP ≤ 5	23.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride?

The IUPAC name of (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride (CID 159340357) is (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride.

What is the SMILES notation for (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride?

The canonical SMILES for (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride is CC.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2cc(F)c(F)cc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)c(F)cc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)c(F)cc12.COc1ccc(CN)c(OC)c1.Cl.Fc1cc2nc(Cl)nc(Cl)c2cc1F.

What is the InChIKey of (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride?

The InChIKey is RBGOOCFKKOCRMZ-ZOIMVBTDSA-N. The full InChI is InChI=1S/C27H34F2N4O3.C18H22ClF2N3O.C18H24F2N4O.C10H21NO.C9H13NO2.C8H2Cl2F2N2.C2H6.ClH/c1-6-7-11-27(3,12-10-17(2)34)33-25-20-14-21(28)22(29)15-23(20)31-26(32-25)30-16-18-8-9-19(35-4)13-24(18)36-5;1-4-5-7-18(3,8-6-11(2)25)24-16-12-9-13(20)14(21)10-15(12)22-17(19)23-16;1-4-5-7-18(3,8-6-11(2)25)24-16-12-9-13(19)14(20)10-15(12)22-17(21)23-16;1-4-5-7-10(3,11)8-6-9(2)12;1-11-8-4-3-7(6-10)9(5-8)12-2;9-7-3-1-4(11)5(12)2-6(3)13-8(10)14-7;1-2;/h8-9,13-15H,6-7,10-12,16H2,1-5H3,(H2,30,31,32,33);9-10H,4-8H2,1-3H3,(H,22,23,24);9-10H,4-8H2,1-3H3,(H3,21,22,23,24);4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-2H;1-2H3;1H/t27-;2*18-;10-;;;;/m1111..../s1.

What are the key properties of (5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride?

(5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride has a molecular weight of 1860.89 g/mol, XLogP of 23.87, 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-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-amino-5-methylnonan-2-one;(5R)-5-[(2-chloro-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloro-6,7-difluoroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-6,7-difluoroquinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;hydrochloride is sourced from PubChem (CID 159340357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).