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

C20H16FN7O2 — CID 122589382

IUPAC1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(F)cn1)c(=O)n3C
InChIInChI=1S/C20H16FN7O2/c1-26-10-11(6-25-26)13-4-14-15(5-17(13)30-3)22-9-16-18(14)28(20(29)27(16)2)19-23-7-12(21)8-24-19/h4-10H,1-3H3
InChIKeyMFJBPMVFKOBKCL-UHFFFAOYSA-N
MW405.39 g/mol
LogP2.22
Rot. Bonds3

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

1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589382) has the molecular formula C20H16FN7O2 and a molecular weight of 405.39 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589382
Molecular FormulaC20H16FN7O2
Molecular Weight405.39 g/mol
Exact Mass405.13
IUPAC Name1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(F)cn1)c(=O)n3C
InChIInChI=1S/C20H16FN7O2/c1-26-10-11(6-25-26)13-4-14-15(5-17(13)30-3)22-9-16-18(14)28(20(29)27(16)2)19-23-7-12(21)8-24-19/h4-10H,1-3H3
InChIKeyMFJBPMVFKOBKCL-UHFFFAOYSA-N
XLogP2.22
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

DNA-PK-IN-11
CID 56847587
M-4076
CID 122599280
8-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317314
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
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-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122589382) is 1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(F)cn1)c(=O)n3C.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is MFJBPMVFKOBKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O2/c1-26-10-11(6-25-26)13-4-14-15(5-17(13)30-3)22-9-16-18(14)28(20(29)27(16)2)19-23-7-12(21)8-24-19/h4-10H,1-3H3.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 405.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).