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

C20H16FN7O2 — CID 134325559

IUPAC1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncncc1F)c(=O)n3C
InChIInChI=1S/C20H16FN7O2/c1-26-9-11(6-25-26)12-4-13-15(5-17(12)30-3)23-8-16-18(13)28(20(29)27(16)2)19-14(21)7-22-10-24-19/h4-10H,1-3H3
InChIKeyXOLCSXJONGVQCP-UHFFFAOYSA-N
MW405.39 g/mol
LogP2.22
Rot. Bonds3

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

1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325559) has the molecular formula C20H16FN7O2 and a molecular weight of 405.39 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325559
Molecular FormulaC20H16FN7O2
Molecular Weight405.39 g/mol
Exact Mass405.13
IUPAC Name1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncncc1F)c(=O)n3C
InChIInChI=1S/C20H16FN7O2/c1-26-9-11(6-25-26)12-4-13-15(5-17(12)30-3)23-8-16-18(13)28(20(29)27(16)2)19-14(21)7-22-10-24-19/h4-10H,1-3H3
InChIKeyXOLCSXJONGVQCP-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325559) is 1-(5-fluoropyrimidin-4-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-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncncc1F)c(=O)n3C.
What is the InChIKey of 1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is XOLCSXJONGVQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O2/c1-26-9-11(6-25-26)12-4-13-15(5-17(12)30-3)23-8-16-18(13)28(20(29)27(16)2)19-14(21)7-22-10-24-19/h4-10H,1-3H3.
What are the key properties of 1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(5-fluoropyrimidin-4-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-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).