[1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone

C28H31F2N3O4 — CID 87056283

About [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone

[1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 87056283) has the molecular formula C28H31F2N3O4 and a molecular weight of 511.57 g/mol. Its IUPAC name is [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

• Compound Name: [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone
• PubChem CID: 87056283
• Molecular Formula: C28H31F2N3O4
• Molecular Weight: 511.57 g/mol
• Exact Mass: 511.23
• IUPAC Name: [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone
• SMILES: COc1cc2c(cc1OC(C)C)-n1c(-c3cc(F)ccc3F)nc(C(=O)N3CCOCC3(C)C)c1CC2
• InChI: InChI=1S/C28H31F2N3O4/c1-16(2)37-24-14-22-17(12-23(24)35-5)6-9-21-25(27(34)32-10-11-36-15-28(32,3)4)31-26(33(21)22)19-13-18(29)7-8-20(19)30/h7-8,12-14,16H,6,9-11,15H2,1-5H3
• InChIKey: QQHQULFEOUFTMP-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 65.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.57
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone?

The IUPAC name of [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone (CID 87056283) is [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone.

What is the SMILES notation for [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone?

The canonical SMILES for [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone is COc1cc2c(cc1OC(C)C)-n1c(-c3cc(F)ccc3F)nc(C(=O)N3CCOCC3(C)C)c1CC2.

What is the InChIKey of [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone?

The InChIKey is QQHQULFEOUFTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N3O4/c1-16(2)37-24-14-22-17(12-23(24)35-5)6-9-21-25(27(34)32-10-11-36-15-28(32,3)4)31-26(33(21)22)19-13-18(29)7-8-20(19)30/h7-8,12-14,16H,6,9-11,15H2,1-5H3.

What are the key properties of [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone?

[1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 511.57 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,5-difluorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 87056283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).