[1-(3-chlorophenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone

C29H30ClN5O3 — CID 87056763

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

[1-(3-chlorophenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 87056763) has the molecular formula C29H30ClN5O3 and a molecular weight of 532.04 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

• Compound Name: [1-(3-chlorophenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone
• PubChem CID: 87056763
• Molecular Formula: C29H30ClN5O3
• Molecular Weight: 532.04 g/mol
• Exact Mass: 531.20
• IUPAC Name: [1-(3-chlorophenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone
• SMILES: COc1cc2c(cc1-c1ccn(C)n1)-n1c(-c3cccc(Cl)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2
• InChI: InChI=1S/C29H30ClN5O3/c1-29(2)17-38-13-12-34(29)28(36)26-23-9-8-18-15-25(37-4)21(22-10-11-33(3)32-22)16-24(18)35(23)27(31-26)19-6-5-7-20(30)14-19/h5-7,10-11,14-16H,8-9,12-13,17H2,1-4H3
• InChIKey: KTEULAGUCRQILV-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 74.41 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.04
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [1-(3-chlorophenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone (CID 87056763) is [1-(3-chlorophenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone.

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

The canonical SMILES for [1-(3-chlorophenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone is COc1cc2c(cc1-c1ccn(C)n1)-n1c(-c3cccc(Cl)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.

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

The InChIKey is KTEULAGUCRQILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN5O3/c1-29(2)17-38-13-12-34(29)28(36)26-23-9-8-18-15-25(37-4)21(22-10-11-33(3)32-22)16-24(18)35(23)27(31-26)19-6-5-7-20(30)14-19/h5-7,10-11,14-16H,8-9,12-13,17H2,1-4H3.

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

[1-(3-chlorophenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 532.04 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(3-chlorophenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 87056763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).