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

C21H20FN6O2P — CID 146228359

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

1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 146228359) has the molecular formula C21H20FN6O2P and a molecular weight of 438.40 g/mol. Its IUPAC name is 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one
• PubChem CID: 146228359
• Molecular Formula: C21H20FN6O2P
• Molecular Weight: 438.40 g/mol
• Exact Mass: 438.14
• IUPAC Name: 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one
• SMILES: COc1cc2ncc3c(c2cc1C1=CN(C)PN1)n(-c1c(C)cncc1F)c(=O)n3C
• InChI: InChI=1S/C21H20FN6O2P/c1-11-7-23-8-14(22)19(11)28-20-13-5-12(16-10-26(2)31-25-16)18(30-4)6-15(13)24-9-17(20)27(3)21(28)29/h5-10,25,31H,1-4H3
• InChIKey: OZGZCZUEMYSSQA-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 77.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.40
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one (CID 146228359) is 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one.

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

The canonical SMILES for 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1C1=CN(C)PN1)n(-c1c(C)cncc1F)c(=O)n3C.

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

The InChIKey is OZGZCZUEMYSSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN6O2P/c1-11-7-23-8-14(22)19(11)28-20-13-5-12(16-10-26(2)31-25-16)18(30-4)6-15(13)24-9-17(20)27(3)21(28)29/h5-10,25,31H,1-4H3.

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

1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 438.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 146228359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).