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

C29H39N5O4 — CID 87057420

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

(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(5-methyl-2-propylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (PubChem CID 87057420) has the molecular formula C29H39N5O4 and a molecular weight of 521.66 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(5-methyl-2-propylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.

Molecular Properties

• Compound Name: (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(5-methyl-2-propylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
• PubChem CID: 87057420
• Molecular Formula: C29H39N5O4
• Molecular Weight: 521.66 g/mol
• Exact Mass: 521.30
• IUPAC Name: (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(5-methyl-2-propylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
• SMILES: CCCn1nc(C)cc1-c1nc(C(=O)N2CCOCC2(C)C)c2n1-c1cc(OC(C)C)c(OC)cc1CC2
• InChI: InChI=1S/C29H39N5O4/c1-8-11-33-23(14-19(4)31-33)27-30-26(28(35)32-12-13-37-17-29(32,5)6)21-10-9-20-15-24(36-7)25(38-18(2)3)16-22(20)34(21)27/h14-16,18H,8-13,17H2,1-7H3
• InChIKey: XFZDEMJBRMDZML-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 83.64 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.66
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(5-methyl-2-propylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (CID 87057420) is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(5-methyl-2-propylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.

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

The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(5-methyl-2-propylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is CCCn1nc(C)cc1-c1nc(C(=O)N2CCOCC2(C)C)c2n1-c1cc(OC(C)C)c(OC)cc1CC2.

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

The InChIKey is XFZDEMJBRMDZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O4/c1-8-11-33-23(14-19(4)31-33)27-30-26(28(35)32-12-13-37-17-29(32,5)6)21-10-9-20-15-24(36-7)25(38-18(2)3)16-22(20)34(21)27/h14-16,18H,8-13,17H2,1-7H3.

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

(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(5-methyl-2-propylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone has a molecular weight of 521.66 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(5-methyl-2-propylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is sourced from PubChem (CID 87057420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).