1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C24H23FN6O4 — CID 134325564

About 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325564) has the molecular formula C24H23FN6O4 and a molecular weight of 478.48 g/mol. Its IUPAC name is 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
• PubChem CID: 134325564
• Molecular Formula: C24H23FN6O4
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.18
• IUPAC Name: 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
• SMILES: COCCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1
• InChI: InChI=1S/C24H23FN6O4/c1-29-13-14(10-28-29)16-8-17-19(9-21(16)34-4)26-12-20-22(17)31(24(32)30(20)2)23-18(25)7-15(11-27-23)35-6-5-33-3/h7-13H,5-6H2,1-4H3
• InChIKey: IKTWUKSXLCPALF-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 98.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The IUPAC name of 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325564) is 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

What is the SMILES notation for 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COCCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.

What is the InChIKey of 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The InChIKey is IKTWUKSXLCPALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O4/c1-29-13-14(10-28-29)16-8-17-19(9-21(16)34-4)26-12-20-22(17)31(24(32)30(20)2)23-18(25)7-15(11-27-23)35-6-5-33-3/h7-13H,5-6H2,1-4H3.

What are the key properties of 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?

1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 478.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).