1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone

C35H32FN7O3 — CID 138689348

About 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone

1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 138689348) has the molecular formula C35H32FN7O3 and a molecular weight of 617.69 g/mol. Its IUPAC name is 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone
• PubChem CID: 138689348
• Molecular Formula: C35H32FN7O3
• Molecular Weight: 617.69 g/mol
• Exact Mass: 617.26
• IUPAC Name: 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone
• SMILES: COc1ccc(CNc2nc3c(F)cccc3c3nc(CN4CCN(C(=O)Cc5ccccn5)c5ccccc54)cn23)c(OC)c1
• InChI: InChI=1S/C35H32FN7O3/c1-45-26-14-13-23(31(19-26)46-2)20-38-35-40-33-27(9-7-10-28(33)36)34-39-25(22-43(34)35)21-41-16-17-42(30-12-4-3-11-29(30)41)32(44)18-24-8-5-6-15-37-24/h3-15,19,22H,16-18,20-21H2,1-2H3,(H,38,40)
• InChIKey: HZJXYXQIUDSYSG-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 97.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.69
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone?

The IUPAC name of 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone (CID 138689348) is 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone.

What is the SMILES notation for 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone?

The canonical SMILES for 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone is COc1ccc(CNc2nc3c(F)cccc3c3nc(CN4CCN(C(=O)Cc5ccccn5)c5ccccc54)cn23)c(OC)c1.

What is the InChIKey of 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone?

The InChIKey is HZJXYXQIUDSYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN7O3/c1-45-26-14-13-23(31(19-26)46-2)20-38-35-40-33-27(9-7-10-28(33)36)34-39-25(22-43(34)35)21-41-16-17-42(30-12-4-3-11-29(30)41)32(44)18-24-8-5-6-15-37-24/h3-15,19,22H,16-18,20-21H2,1-2H3,(H,38,40).

What are the key properties of 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone?

1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 617.69 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-2,3-dihydroquinoxalin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 138689348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).