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

C20H15FN6O2 — CID 122599443

IUPAC1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1ccncc1F)c(=O)n3C
InChIInChI=1S/C20H15FN6O2/c1-26-17-10-23-15-6-18(29-2)12(11-7-24-25-8-11)5-13(15)19(17)27(20(26)28)16-3-4-22-9-14(16)21/h3-10H,1-2H3,(H,24,25)
InChIKeyIYXKWUUHJWAEHV-UHFFFAOYSA-N
MW390.38 g/mol
LogP2.81
Rot. Bonds3

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

1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122599443) has the molecular formula C20H15FN6O2 and a molecular weight of 390.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122599443
Molecular FormulaC20H15FN6O2
Molecular Weight390.38 g/mol
Exact Mass390.12
IUPAC Name1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1ccncc1F)c(=O)n3C
InChIInChI=1S/C20H15FN6O2/c1-26-17-10-23-15-6-18(29-2)12(11-7-24-25-8-11)5-13(15)19(17)27(20(26)28)16-3-4-22-9-14(16)21/h3-10H,1-2H3,(H,24,25)
InChIKeyIYXKWUUHJWAEHV-UHFFFAOYSA-N
XLogP2.81
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

M-4076
CID 122599280
DNA-PK-IN-11
CID 56847587
1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one
CID 118239105
3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-[(E)-2-phenylethenyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56846720
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
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
US10457677, Example 114
CID 122589327
US10457677, Example 129
CID 122589331
US10457677, Example 33
CID 122589364
US10457677, Example 145
CID 122589371
US10457677, Example 119
CID 122589374

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122599443) is 1-(3-fluoro-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-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-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(-c1ccncc1F)c(=O)n3C.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is IYXKWUUHJWAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2/c1-26-17-10-23-15-6-18(29-2)12(11-7-24-25-8-11)5-13(15)19(17)27(20(26)28)16-3-4-22-9-14(16)21/h3-10H,1-2H3,(H,24,25).
What are the key properties of 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 390.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122599443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).