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

C26H21FN6O3 — CID 134325557

IUPAC1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc(C)[nH]c6c5)cc4c32)c(F)c1
InChIInChI=1S/C26H21FN6O3/c1-13-30-19-6-5-14(7-21(19)31-13)16-9-17-20(10-23(16)36-4)28-12-22-24(17)33(26(34)32(22)2)25-18(27)8-15(35-3)11-29-25/h5-12H,1-4H3,(H,30,31)
InChIKeyUPSDGLZQBVFXMD-UHFFFAOYSA-N
MW484.49 g/mol
LogP4.28
Rot. Bonds4

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

1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325557) has the molecular formula C26H21FN6O3 and a molecular weight of 484.49 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325557
Molecular FormulaC26H21FN6O3
Molecular Weight484.49 g/mol
Exact Mass484.17
IUPAC Name1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc(C)[nH]c6c5)cc4c32)c(F)c1
InChIInChI=1S/C26H21FN6O3/c1-13-30-19-6-5-14(7-21(19)31-13)16-9-17-20(10-23(16)36-4)28-12-22-24(17)33(26(34)32(22)2)25-18(27)8-15(35-3)11-29-25/h5-12H,1-4H3,(H,30,31)
InChIKeyUPSDGLZQBVFXMD-UHFFFAOYSA-N
XLogP4.28
TPSA99.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one (CID 134325557) is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one is COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc(C)[nH]c6c5)cc4c32)c(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is UPSDGLZQBVFXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O3/c1-13-30-19-6-5-14(7-21(19)31-13)16-9-17-20(10-23(16)36-4)28-12-22-24(17)33(26(34)32(22)2)25-18(27)8-15(35-3)11-29-25/h5-12H,1-4H3,(H,30,31).
What are the key properties of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 484.49 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).