2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate

C30H34FN5O4 — CID 170604115

About 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate

2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate (PubChem CID 170604115) has the molecular formula C30H34FN5O4 and a molecular weight of 547.63 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate.

Molecular Properties

• Compound Name: 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate
• PubChem CID: 170604115
• Molecular Formula: C30H34FN5O4
• Molecular Weight: 547.63 g/mol
• Exact Mass: 547.26
• IUPAC Name: 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate
• SMILES: CNC(=O)OCCOc1cccc2cc(-c3nc4cc5c(cc4n3C)CCN(CCCF)C5=O)n(CC3CC3)c12
• InChI: InChI=1S/C30H34FN5O4/c1-32-30(38)40-14-13-39-26-6-3-5-21-16-25(36(27(21)26)18-19-7-8-19)28-33-23-17-22-20(15-24(23)34(28)2)9-12-35(29(22)37)11-4-10-31/h3,5-6,15-17,19H,4,7-14,18H2,1-2H3,(H,32,38)
• InChIKey: GINHWFFSPRDSPV-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 90.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.63
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate?

The IUPAC name of 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate (CID 170604115) is 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate.

What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate?

The canonical SMILES for 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate is CNC(=O)OCCOc1cccc2cc(-c3nc4cc5c(cc4n3C)CCN(CCCF)C5=O)n(CC3CC3)c12.

What is the InChIKey of 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate?

The InChIKey is GINHWFFSPRDSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O4/c1-32-30(38)40-14-13-39-26-6-3-5-21-16-25(36(27(21)26)18-19-7-8-19)28-33-23-17-22-20(15-24(23)34(28)2)9-12-35(29(22)37)11-4-10-31/h3,5-6,15-17,19H,4,7-14,18H2,1-2H3,(H,32,38).

What are the key properties of 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate?

2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate has a molecular weight of 547.63 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate is sourced from PubChem (CID 170604115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).