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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Related Compounds

DNA-PK-IN-11
CID 56847587
M-4076
CID 122599280
(1S,3S)-N-(7-Methoxy-4-methylquinolin-2-yl)-N'-[(1-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]cyclopentane-1,3-diamine
CID 23657037
1-[4-[4-[[9-(4-Methoxyphenyl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 56602846
3-Fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847640
3-Fluoro-4-[7-methoxy-3-methyl-8-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847642
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-propan-2-ylethane-1,2-diamine
CID 71558885
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]ethane-1,2-diamine
CID 89534049
1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044906
US9884048, Example 56
CID 121416619
US10457677, Example 114
CID 122589327
US10457677, Example 129
CID 122589331

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).