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

C23H21FN6O3 — CID 134325552

IUPAC8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cn(C)nc5C)cc4c32)c(F)c1
InChIInChI=1S/C23H21FN6O3/c1-12-16(11-28(2)27-12)14-7-15-18(8-20(14)33-5)25-10-19-21(15)30(23(31)29(19)3)22-17(24)6-13(32-4)9-26-22/h6-11H,1-5H3
InChIKeyKOYHHNMHRIDEPW-UHFFFAOYSA-N
MW448.46 g/mol
LogP3.14
Rot. Bonds4

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

8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 134325552) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID134325552
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cn(C)nc5C)cc4c32)c(F)c1
InChIInChI=1S/C23H21FN6O3/c1-12-16(11-28(2)27-12)14-7-15-18(8-20(14)33-5)25-10-19-21(15)30(23(31)29(19)3)22-17(24)6-13(32-4)9-26-22/h6-11H,1-5H3
InChIKeyKOYHHNMHRIDEPW-UHFFFAOYSA-N
XLogP3.14
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 134325552) is 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cn(C)nc5C)cc4c32)c(F)c1.
What is the InChIKey of 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is KOYHHNMHRIDEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-12-16(11-28(2)27-12)14-7-15-18(8-20(14)33-5)25-10-19-21(15)30(23(31)29(19)3)22-17(24)6-13(32-4)9-26-22/h6-11H,1-5H3.
What are the key properties of 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 448.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).