1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one

C22H18FN5O2 — CID 59619994

IUPAC1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cc(O)cc(F)c4)cc3c21
InChIInChI=1S/C22H18FN5O2/c1-12-20(11-26(2)25-12)28-21-17-8-13(14-6-15(23)9-16(29)7-14)4-5-18(17)24-10-19(21)27(3)22(28)30/h4-11,29H,1-3H3
InChIKeyNQAMUCRSNZFHLZ-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.43
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one

1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619994) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619994
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cc(O)cc(F)c4)cc3c21
InChIInChI=1S/C22H18FN5O2/c1-12-20(11-26(2)25-12)28-21-17-8-13(14-6-15(23)9-16(29)7-14)4-5-18(17)24-10-19(21)27(3)22(28)30/h4-11,29H,1-3H3
InChIKeyNQAMUCRSNZFHLZ-UHFFFAOYSA-N
XLogP3.43
TPSA77.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619994) is 1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one is Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cc(O)cc(F)c4)cc3c21.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is NQAMUCRSNZFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-12-20(11-26(2)25-12)28-21-17-8-13(14-6-15(23)9-16(29)7-14)4-5-18(17)24-10-19(21)27(3)22(28)30/h4-11,29H,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 403.42 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-8-(3-fluoro-5-hydroxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).