7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C68H73BrCl3N19O11 — CID 167592419

About 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 167592419) has the molecular formula C68H73BrCl3N19O11 and a molecular weight of 1518.72 g/mol. Its IUPAC name is 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 167592419
• Molecular Formula: C68H73BrCl3N19O11
• Molecular Weight: 1518.72 g/mol
• Exact Mass: 1515.40
• IUPAC Name: 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4cnccc34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4cnccc34)c2)cc(OC)c1OC.Clc1nc(Cl)c2ccc(Br)cc2n1.OC[C@@H]1CCCN1
• InChI: InChI=1S/C24H27N7O4.C19H17ClN6O3.C12H15N3O3.C8H3BrCl2N2.C5H11NO/c1-33-19-9-16(10-20(34-2)22(19)35-3)30-12-21(26-14-30)28-23-17-6-7-25-11-18(17)27-24(29-23)31-8-4-5-15(31)13-32;1-27-14-6-11(7-15(28-2)17(14)29-3)26-9-16(22-10-26)24-18-12-4-5-21-8-13(12)23-19(20)25-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10;7-4-5-2-1-3-6-5/h6-7,9-12,14-15,32H,4-5,8,13H2,1-3H3,(H,27,28,29);4-10H,1-3H3,(H,23,24,25);4-7H,13H2,1-3H3;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1
• InChIKey: IPHRMZWSFDJOAX-HIKDPHHVSA-N
• XLogP: 11.48
• TPSA: 345.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1518.72
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 167592419) is 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4cnccc34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4cnccc34)c2)cc(OC)c1OC.Clc1nc(Cl)c2ccc(Br)cc2n1.OC[C@@H]1CCCN1.

What is the InChIKey of 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

The InChIKey is IPHRMZWSFDJOAX-HIKDPHHVSA-N. The full InChI is InChI=1S/C24H27N7O4.C19H17ClN6O3.C12H15N3O3.C8H3BrCl2N2.C5H11NO/c1-33-19-9-16(10-20(34-2)22(19)35-3)30-12-21(26-14-30)28-23-17-6-7-25-11-18(17)27-24(29-23)31-8-4-5-15(31)13-32;1-27-14-6-11(7-15(28-2)17(14)29-3)26-9-16(22-10-26)24-18-12-4-5-21-8-13(12)23-19(20)25-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10;7-4-5-2-1-3-6-5/h6-7,9-12,14-15,32H,4-5,8,13H2,1-3H3,(H,27,28,29);4-10H,1-3H3,(H,23,24,25);4-7H,13H2,1-3H3;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1.

What are the key properties of 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 1518.72 g/mol, XLogP of 11.48, 19 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2,4-dichloroquinazoline;2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167592419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).