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

C22H18F2N6O2 — CID 134325583

IUPAC1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1ncc(F)cc1F)c(=O)n3C
InChIInChI=1S/C22H18F2N6O2/c1-11-15(10-28(2)27-11)13-6-14-17(7-19(13)32-4)25-9-18-20(14)30(22(31)29(18)3)21-16(24)5-12(23)8-26-21/h5-10H,1-4H3
InChIKeyUXTWEAANHDFDTF-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.27
Rot. Bonds3

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

1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 134325583) has the molecular formula C22H18F2N6O2 and a molecular weight of 436.42 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID134325583
Molecular FormulaC22H18F2N6O2
Molecular Weight436.42 g/mol
Exact Mass436.15
IUPAC Name1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1ncc(F)cc1F)c(=O)n3C
InChIInChI=1S/C22H18F2N6O2/c1-11-15(10-28(2)27-11)13-6-14-17(7-19(13)32-4)25-9-18-20(14)30(22(31)29(18)3)21-16(24)5-12(23)8-26-21/h5-10H,1-4H3
InChIKeyUXTWEAANHDFDTF-UHFFFAOYSA-N
XLogP3.27
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.27
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-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 134325583) is 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1ncc(F)cc1F)c(=O)n3C.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is UXTWEAANHDFDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O2/c1-11-15(10-28(2)27-11)13-6-14-17(7-19(13)32-4)25-9-18-20(14)30(22(31)29(18)3)21-16(24)5-12(23)8-26-21/h5-10H,1-4H3.
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 436.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).