7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

C23H23FN4O3 — CID 136627856

IUPAC7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCOc1cc(C)c(-c2cc3[nH]c(=O)c4cnn([C@H]5CCOC5)c4c3cc2F)c(C)n1
InChIInChI=1S/C23H23FN4O3/c1-4-31-20-7-12(2)21(13(3)26-20)15-9-19-16(8-18(15)24)22-17(23(29)27-19)10-25-28(22)14-5-6-30-11-14/h7-10,14H,4-6,11H2,1-3H3,(H,27,29)/t14-/m0/s1
InChIKeyOFLGQJAYFNHEGR-AWEZNQCLSA-N
MW422.46 g/mol
LogP4.06
Rot. Bonds4

About 7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136627856) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136627856
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCOc1cc(C)c(-c2cc3[nH]c(=O)c4cnn([C@H]5CCOC5)c4c3cc2F)c(C)n1
InChIInChI=1S/C23H23FN4O3/c1-4-31-20-7-12(2)21(13(3)26-20)15-9-19-16(8-18(15)24)22-17(23(29)27-19)10-25-28(22)14-5-6-30-11-14/h7-10,14H,4-6,11H2,1-3H3,(H,27,29)/t14-/m0/s1
InChIKeyOFLGQJAYFNHEGR-AWEZNQCLSA-N
XLogP4.06
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136627856) is 7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is CCOc1cc(C)c(-c2cc3[nH]c(=O)c4cnn([C@H]5CCOC5)c4c3cc2F)c(C)n1.
What is the InChIKey of 7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is OFLGQJAYFNHEGR-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-4-31-20-7-12(2)21(13(3)26-20)15-9-19-16(8-18(15)24)22-17(23(29)27-19)10-25-28(22)14-5-6-30-11-14/h7-10,14H,4-6,11H2,1-3H3,(H,27,29)/t14-/m0/s1.
What are the key properties of 7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 422.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-8-fluoro-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136627856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).