1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline

C27H23FN6O2 — CID 145161746

About 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline

1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline (PubChem CID 145161746) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline.

Molecular Properties

• Compound Name: 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline
• PubChem CID: 145161746
• Molecular Formula: C27H23FN6O2
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.19
• IUPAC Name: 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline
• SMILES: C=C1N(C)c2cnc3cc(OC)c(-c4ccc5nc(C)[nH]c5c4)cc3c2N1c1ncc(OC)cc1F
• InChI: InChI=1S/C27H23FN6O2/c1-14-31-21-7-6-16(8-23(21)32-14)18-10-19-22(11-25(18)36-5)29-13-24-26(19)34(15(2)33(24)3)27-20(28)9-17(35-4)12-30-27/h6-13H,2H2,1,3-5H3,(H,31,32)
• InChIKey: IGOOVILFUBKMBD-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 79.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline?

The IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline (CID 145161746) is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline.

What is the SMILES notation for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline?

The canonical SMILES for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline is C=C1N(C)c2cnc3cc(OC)c(-c4ccc5nc(C)[nH]c5c4)cc3c2N1c1ncc(OC)cc1F.

What is the InChIKey of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline?

The InChIKey is IGOOVILFUBKMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-14-31-21-7-6-16(8-23(21)32-14)18-10-19-22(11-25(18)36-5)29-13-24-26(19)34(15(2)33(24)3)27-20(28)9-17(35-4)12-30-27/h6-13H,2H2,1,3-5H3,(H,31,32).

What are the key properties of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline?

1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline has a molecular weight of 482.52 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline is sourced from PubChem (CID 145161746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).