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

C26H30ClN3O4S — CID 87057242

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

[1-(5-chlorothiophen-2-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 87057242) has the molecular formula C26H30ClN3O4S and a molecular weight of 516.06 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)-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-(5-chlorothiophen-2-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone
• PubChem CID: 87057242
• Molecular Formula: C26H30ClN3O4S
• Molecular Weight: 516.06 g/mol
• Exact Mass: 515.16
• IUPAC Name: [1-(5-chlorothiophen-2-yl)-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(-c3ccc(Cl)s3)nc(C(=O)N3CCOCC3(C)C)c1CC2
• InChI: InChI=1S/C26H30ClN3O4S/c1-15(2)34-20-13-18-16(12-19(20)32-5)6-7-17-23(25(31)29-10-11-33-14-26(29,3)4)28-24(30(17)18)21-8-9-22(27)35-21/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3
• InChIKey: ZNJVSCIAXGZIBZ-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 65.82 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.06
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorothiophen-2-yl)-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-(5-chlorothiophen-2-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone (CID 87057242) is [1-(5-chlorothiophen-2-yl)-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-(5-chlorothiophen-2-yl)-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-(5-chlorothiophen-2-yl)-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(-c3ccc(Cl)s3)nc(C(=O)N3CCOCC3(C)C)c1CC2.

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

The InChIKey is ZNJVSCIAXGZIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O4S/c1-15(2)34-20-13-18-16(12-19(20)32-5)6-7-17-23(25(31)29-10-11-33-14-26(29,3)4)28-24(30(17)18)21-8-9-22(27)35-21/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3.

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

[1-(5-chlorothiophen-2-yl)-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 516.06 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(5-chlorothiophen-2-yl)-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 87057242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).