1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one

C23H25FN5O2P — CID 146228336

About 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one

1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 146228336) has the molecular formula C23H25FN5O2P and a molecular weight of 453.46 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one
• PubChem CID: 146228336
• Molecular Formula: C23H25FN5O2P
• Molecular Weight: 453.46 g/mol
• Exact Mass: 453.17
• IUPAC Name: 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one
• SMILES: COc1cc2ncc3c(c2cc1/C(=C/C(C)C)NPC)n(-c1ccncc1F)c(=O)n3C
• InChI: InChI=1S/C23H25FN5O2P/c1-13(2)8-18(27-32-5)14-9-15-17(10-21(14)31-4)26-12-20-22(15)29(23(30)28(20)3)19-6-7-25-11-16(19)24/h6-13,27,32H,1-5H3/b18-8-
• InChIKey: ZPGPVUFIGLGRHG-LSCVHKIXSA-N
• XLogP: 4.23
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.46
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one (CID 146228336) is 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one.

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

The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1/C(=C/C(C)C)NPC)n(-c1ccncc1F)c(=O)n3C.

What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one?

The InChIKey is ZPGPVUFIGLGRHG-LSCVHKIXSA-N. The full InChI is InChI=1S/C23H25FN5O2P/c1-13(2)8-18(27-32-5)14-9-15-17(10-21(14)31-4)26-12-20-22(15)29(23(30)28(20)3)19-6-7-25-11-16(19)24/h6-13,27,32H,1-5H3/b18-8-.

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

1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 453.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 146228336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).