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

C20H14F2N6O2 — CID 134325510

IUPAC1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3[nH]c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cnn(C)c1
InChIInChI=1S/C20H14F2N6O2/c1-27-9-10(6-25-27)12-4-13-15(5-17(12)30-2)23-8-16-18(13)28(20(29)26-16)19-14(22)3-11(21)7-24-19/h3-9H,1-2H3,(H,26,29)
InChIKeySYZCYCYJKPKMJF-UHFFFAOYSA-N
MW408.37 g/mol
LogP2.95
Rot. Bonds3

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

1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 134325510) has the molecular formula C20H14F2N6O2 and a molecular weight of 408.37 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID134325510
Molecular FormulaC20H14F2N6O2
Molecular Weight408.37 g/mol
Exact Mass408.11
IUPAC Name1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3[nH]c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cnn(C)c1
InChIInChI=1S/C20H14F2N6O2/c1-27-9-10(6-25-27)12-4-13-15(5-17(12)30-2)23-8-16-18(13)28(20(29)26-16)19-14(22)3-11(21)7-24-19/h3-9H,1-2H3,(H,26,29)
InChIKeySYZCYCYJKPKMJF-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-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (CID 134325510) is 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3[nH]c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cnn(C)c1.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is SYZCYCYJKPKMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6O2/c1-27-9-10(6-25-27)12-4-13-15(5-17(12)30-2)23-8-16-18(13)28(20(29)26-16)19-14(22)3-11(21)7-24-19/h3-9H,1-2H3,(H,26,29).
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
1-(3,5-difluoro-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-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-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).