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

C27H32FN3O3S — CID 87056769

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

(3,3-dimethylmorpholin-4-yl)-[1-(5-fluorothiophen-2-yl)-7-methoxy-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (PubChem CID 87056769) has the molecular formula C27H32FN3O3S and a molecular weight of 497.64 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[1-(5-fluorothiophen-2-yl)-7-methoxy-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.

Molecular Properties

• Compound Name: (3,3-dimethylmorpholin-4-yl)-[1-(5-fluorothiophen-2-yl)-7-methoxy-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
• PubChem CID: 87056769
• Molecular Formula: C27H32FN3O3S
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.21
• IUPAC Name: (3,3-dimethylmorpholin-4-yl)-[1-(5-fluorothiophen-2-yl)-7-methoxy-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
• SMILES: COc1cc2c(cc1CC(C)C)-n1c(-c3ccc(F)s3)nc(C(=O)N3CCOCC3(C)C)c1CC2
• InChI: InChI=1S/C27H32FN3O3S/c1-16(2)12-18-13-20-17(14-21(18)33-5)6-7-19-24(26(32)30-10-11-34-15-27(30,3)4)29-25(31(19)20)22-8-9-23(28)35-22/h8-9,13-14,16H,6-7,10-12,15H2,1-5H3
• InChIKey: MLMBJFWKIREQFM-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 56.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[1-(5-fluorothiophen-2-yl)-7-methoxy-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (CID 87056769) is (3,3-dimethylmorpholin-4-yl)-[1-(5-fluorothiophen-2-yl)-7-methoxy-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.

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

The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[1-(5-fluorothiophen-2-yl)-7-methoxy-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is COc1cc2c(cc1CC(C)C)-n1c(-c3ccc(F)s3)nc(C(=O)N3CCOCC3(C)C)c1CC2.

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

The InChIKey is MLMBJFWKIREQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3S/c1-16(2)12-18-13-20-17(14-21(18)33-5)6-7-19-24(26(32)30-10-11-34-15-27(30,3)4)29-25(31(19)20)22-8-9-23(28)35-22/h8-9,13-14,16H,6-7,10-12,15H2,1-5H3.

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

(3,3-dimethylmorpholin-4-yl)-[1-(5-fluorothiophen-2-yl)-7-methoxy-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone has a molecular weight of 497.64 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-dimethylmorpholin-4-yl)-[1-(5-fluorothiophen-2-yl)-7-methoxy-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is sourced from PubChem (CID 87056769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).