8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

C23H21FN6O3 — CID 134325530

IUPAC8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3c(F)cncc3OC)c(=O)n2C)cn1
InChIInChI=1S/C23H21FN6O3/c1-5-29-12-13(8-27-29)14-6-15-17(7-19(14)32-3)26-10-18-21(15)30(23(31)28(18)2)22-16(24)9-25-11-20(22)33-4/h6-12H,5H2,1-4H3
InChIKeyQGTXTNMIEHASOC-UHFFFAOYSA-N
MW448.46 g/mol
LogP3.31
Rot. Bonds5

About 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 134325530) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID134325530
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3c(F)cncc3OC)c(=O)n2C)cn1
InChIInChI=1S/C23H21FN6O3/c1-5-29-12-13(8-27-29)14-6-15-17(7-19(14)32-3)26-10-18-21(15)30(23(31)28(18)2)22-16(24)9-25-11-20(22)33-4/h6-12H,5H2,1-4H3
InChIKeyQGTXTNMIEHASOC-UHFFFAOYSA-N
XLogP3.31
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 134325530) is 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is CCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3c(F)cncc3OC)c(=O)n2C)cn1.
What is the InChIKey of 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is QGTXTNMIEHASOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-5-29-12-13(8-27-29)14-6-15-17(7-19(14)32-3)26-10-18-21(15)30(23(31)28(18)2)22-16(24)9-25-11-20(22)33-4/h6-12H,5H2,1-4H3.
What are the key properties of 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 448.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).