1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one

C22H19FN6O2 — CID 146228419

IUPAC1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCCc1cncc(F)c1-n1c(=O)[nH]c2cnc3cc(OC)c(-c4cnn(C)c4)cc3c21
InChIInChI=1S/C22H19FN6O2/c1-4-12-7-24-9-16(23)20(12)29-21-15-5-14(13-8-26-28(2)11-13)19(31-3)6-17(15)25-10-18(21)27-22(29)30/h5-11H,4H2,1-3H3,(H,27,30)
InChIKeyMHHIJCWRAOVXBS-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.37
Rot. Bonds4

About 1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one

1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 146228419) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID146228419
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCCc1cncc(F)c1-n1c(=O)[nH]c2cnc3cc(OC)c(-c4cnn(C)c4)cc3c21
InChIInChI=1S/C22H19FN6O2/c1-4-12-7-24-9-16(23)20(12)29-21-15-5-14(13-8-26-28(2)11-13)19(31-3)6-17(15)25-10-18(21)27-22(29)30/h5-11H,4H2,1-3H3,(H,27,30)
InChIKeyMHHIJCWRAOVXBS-UHFFFAOYSA-N
XLogP3.37
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (CID 146228419) is 1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is CCc1cncc(F)c1-n1c(=O)[nH]c2cnc3cc(OC)c(-c4cnn(C)c4)cc3c21.
What is the InChIKey of 1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is MHHIJCWRAOVXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-4-12-7-24-9-16(23)20(12)29-21-15-5-14(13-8-26-28(2)11-13)19(31-3)6-17(15)25-10-18(21)27-22(29)30/h5-11H,4H2,1-3H3,(H,27,30).
What are the key properties of 1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 418.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 146228419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).