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

C22H18F2N6O2 — CID 122589412

IUPAC1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3c(F)cncc3F)c(=O)n2C)cn1
InChIInChI=1S/C22H18F2N6O2/c1-4-29-11-12(7-27-29)13-5-14-17(6-19(13)32-3)26-10-18-20(14)30(22(31)28(18)2)21-15(23)8-25-9-16(21)24/h5-11H,4H2,1-3H3
InChIKeyHLDHIXZWJRHBDE-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.44
Rot. Bonds4

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

1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 122589412) has the molecular formula C22H18F2N6O2 and a molecular weight of 436.42 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID122589412
Molecular FormulaC22H18F2N6O2
Molecular Weight436.42 g/mol
Exact Mass436.15
IUPAC Name1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3c(F)cncc3F)c(=O)n2C)cn1
InChIInChI=1S/C22H18F2N6O2/c1-4-29-11-12(7-27-29)13-5-14-17(6-19(13)32-3)26-10-18-20(14)30(22(31)28(18)2)21-15(23)8-25-9-16(21)24/h5-11H,4H2,1-3H3
InChIKeyHLDHIXZWJRHBDE-UHFFFAOYSA-N
XLogP3.44
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 122589412) is 1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is CCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3c(F)cncc3F)c(=O)n2C)cn1.
What is the InChIKey of 1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is HLDHIXZWJRHBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O2/c1-4-29-11-12(7-27-29)13-5-14-17(6-19(13)32-3)26-10-18-20(14)30(22(31)28(18)2)21-15(23)8-25-9-16(21)24/h5-11H,4H2,1-3H3.
What are the key properties of 1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 436.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-pyridinyl)-8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).