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

C22H19FN6O3 — CID 122589371

IUPAC1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(F)cncc1OC)c(=O)n3C
InChIInChI=1S/C22H19FN6O3/c1-27-11-12(7-26-27)13-5-14-16(6-18(13)31-3)25-9-17-20(14)29(22(30)28(17)2)21-15(23)8-24-10-19(21)32-4/h5-11H,1-4H3
InChIKeyVMNZFFHECMZKEV-UHFFFAOYSA-N
MW434.43 g/mol
LogP2.83
Rot. Bonds4

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

1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589371) has the molecular formula C22H19FN6O3 and a molecular weight of 434.43 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589371
Molecular FormulaC22H19FN6O3
Molecular Weight434.43 g/mol
Exact Mass434.15
IUPAC Name1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(F)cncc1OC)c(=O)n3C
InChIInChI=1S/C22H19FN6O3/c1-27-11-12(7-26-27)13-5-14-16(6-18(13)31-3)25-9-17-20(14)29(22(30)28(17)2)21-15(23)8-24-10-19(21)32-4/h5-11H,1-4H3
InChIKeyVMNZFFHECMZKEV-UHFFFAOYSA-N
XLogP2.83
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-4-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-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122589371) is 1-(3-fluoro-5-methoxy-4-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-methoxy-4-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-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(F)cncc1OC)c(=O)n3C.
What is the InChIKey of 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is VMNZFFHECMZKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O3/c1-27-11-12(7-26-27)13-5-14-16(6-18(13)31-3)25-9-17-20(14)29(22(30)28(17)2)21-15(23)8-24-10-19(21)32-4/h5-11H,1-4H3.
What are the key properties of 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 434.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).