N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine

C57H54F2N14O6 — CID 159518009

About N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine (PubChem CID 159518009) has the molecular formula C57H54F2N14O6 and a molecular weight of 1069.15 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine
• PubChem CID: 159518009
• Molecular Formula: C57H54F2N14O6
• Molecular Weight: 1069.15 g/mol
• Exact Mass: 1068.43
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine
• SMILES: COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(-c5nnc(CN6CCOCC6)o5)cc4)cn23)c(OC)c1.Nc1nc2c(F)cccc2c2nc(Cc3ccc(-c4nnc(CN5CCOCC5)o4)cc3)cn12
• InChI: InChI=1S/C33H32FN7O4.C24H22FN7O2/c1-42-25-11-10-23(28(17-25)43-2)18-35-33-37-30-26(4-3-5-27(30)34)31-36-24(19-41(31)33)16-21-6-8-22(9-7-21)32-39-38-29(45-32)20-40-12-14-44-15-13-40;25-19-3-1-2-18-21(19)28-24(26)32-13-17(27-22(18)32)12-15-4-6-16(7-5-15)23-30-29-20(34-23)14-31-8-10-33-11-9-31/h3-11,17,19H,12-16,18,20H2,1-2H3,(H,35,37);1-7,13H,8-12,14H2,(H2,26,28)
• InChIKey: MBLKQMNOLDTOTP-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 219.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1069.15
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine (CID 159518009) is N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine is COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(-c5nnc(CN6CCOCC6)o5)cc4)cn23)c(OC)c1.Nc1nc2c(F)cccc2c2nc(Cc3ccc(-c4nnc(CN5CCOCC5)o4)cc3)cn12.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine?

The InChIKey is MBLKQMNOLDTOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN7O4.C24H22FN7O2/c1-42-25-11-10-23(28(17-25)43-2)18-35-33-37-30-26(4-3-5-27(30)34)31-36-24(19-41(31)33)16-21-6-8-22(9-7-21)32-39-38-29(45-32)20-40-12-14-44-15-13-40;25-19-3-1-2-18-21(19)28-24(26)32-13-17(27-22(18)32)12-15-4-6-16(7-5-15)23-30-29-20(34-23)14-31-8-10-33-11-9-31/h3-11,17,19H,12-16,18,20H2,1-2H3,(H,35,37);1-7,13H,8-12,14H2,(H2,26,28).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine?

N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine has a molecular weight of 1069.15 g/mol, XLogP of 8.20, 15 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 159518009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).