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

C22H19FN6O2 — CID 122589364

IUPAC8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3ccncc3F)c(=O)n2C)cn1
InChIInChI=1S/C22H19FN6O2/c1-4-28-12-13(9-26-28)14-7-15-17(8-20(14)31-3)25-11-19-21(15)29(22(30)27(19)2)18-5-6-24-10-16(18)23/h5-12H,4H2,1-3H3
InChIKeyNQLBXSWAZKIXFY-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.30
Rot. Bonds4

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

8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 122589364) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID122589364
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3ccncc3F)c(=O)n2C)cn1
InChIInChI=1S/C22H19FN6O2/c1-4-28-12-13(9-26-28)14-7-15-17(8-20(14)31-3)25-11-19-21(15)29(22(30)27(19)2)18-5-6-24-10-16(18)23/h5-12H,4H2,1-3H3
InChIKeyNQLBXSWAZKIXFY-UHFFFAOYSA-N
XLogP3.30
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 122589364) is 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is CCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3ccncc3F)c(=O)n2C)cn1.
What is the InChIKey of 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is NQLBXSWAZKIXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-4-28-12-13(9-26-28)14-7-15-17(8-20(14)31-3)25-11-19-21(15)29(22(30)27(19)2)18-5-6-24-10-16(18)23/h5-12H,4H2,1-3H3.
What are the key properties of 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 418.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).