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

C20H14F2N6O2 — CID 122589329

IUPAC1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1c(F)cncc1F)c(=O)n3C
InChIInChI=1S/C20H14F2N6O2/c1-27-16-9-24-15-4-17(30-2)11(10-5-25-26-6-10)3-12(15)18(16)28(20(27)29)19-13(21)7-23-8-14(19)22/h3-9H,1-2H3,(H,25,26)
InChIKeyRQMFNRFPIMJZBR-UHFFFAOYSA-N
MW408.37 g/mol
LogP2.95
Rot. Bonds3

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

1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589329) has the molecular formula C20H14F2N6O2 and a molecular weight of 408.37 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589329
Molecular FormulaC20H14F2N6O2
Molecular Weight408.37 g/mol
Exact Mass408.11
IUPAC Name1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1c(F)cncc1F)c(=O)n3C
InChIInChI=1S/C20H14F2N6O2/c1-27-16-9-24-15-4-17(30-2)11(10-5-25-26-6-10)3-12(15)18(16)28(20(27)29)19-13(21)7-23-8-14(19)22/h3-9H,1-2H3,(H,25,26)
InChIKeyRQMFNRFPIMJZBR-UHFFFAOYSA-N
XLogP2.95
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122589329) is 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1c(F)cncc1F)c(=O)n3C.
What is the InChIKey of 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is RQMFNRFPIMJZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6O2/c1-27-16-9-24-15-4-17(30-2)11(10-5-25-26-6-10)3-12(15)18(16)28(20(27)29)19-13(21)7-23-8-14(19)22/h3-9H,1-2H3,(H,25,26).
What are the key properties of 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 408.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).