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

C21H16F2N6O2 — CID 134325538

IUPAC1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3[nH]c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn(C)nc1C
InChIInChI=1S/C21H16F2N6O2/c1-10-14(9-28(2)27-10)12-5-13-16(6-18(12)31-3)24-8-17-19(13)29(21(30)26-17)20-15(23)4-11(22)7-25-20/h4-9H,1-3H3,(H,26,30)
InChIKeyMGDMUXNEKNMVCH-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.26
Rot. Bonds3

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

1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 134325538) has the molecular formula C21H16F2N6O2 and a molecular weight of 422.40 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID134325538
Molecular FormulaC21H16F2N6O2
Molecular Weight422.40 g/mol
Exact Mass422.13
IUPAC Name1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3[nH]c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn(C)nc1C
InChIInChI=1S/C21H16F2N6O2/c1-10-14(9-28(2)27-10)12-5-13-16(6-18(12)31-3)24-8-17-19(13)29(21(30)26-17)20-15(23)4-11(22)7-25-20/h4-9H,1-3H3,(H,26,30)
InChIKeyMGDMUXNEKNMVCH-UHFFFAOYSA-N
XLogP3.26
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.26
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)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one (CID 134325538) is 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[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-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3[nH]c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn(C)nc1C.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is MGDMUXNEKNMVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O2/c1-10-14(9-28(2)27-10)12-5-13-16(6-18(12)31-3)24-8-17-19(13)29(21(30)26-17)20-15(23)4-11(22)7-25-20/h4-9H,1-3H3,(H,26,30).
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
1-(3,5-difluoro-2-pyridinyl)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 422.40 g/mol, XLogP of 3.26, 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)-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).