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

C23H22N6O2 — CID 122589426

IUPAC8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3ccncc3C)c(=O)n2C)cn1
InChIInChI=1S/C23H22N6O2/c1-5-28-13-15(11-26-28)16-8-17-18(9-21(16)31-4)25-12-20-22(17)29(23(30)27(20)3)19-6-7-24-10-14(19)2/h6-13H,5H2,1-4H3
InChIKeyNVKYWFFJRJXAIL-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.47
Rot. Bonds4

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

8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589426) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589426
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3ccncc3C)c(=O)n2C)cn1
InChIInChI=1S/C23H22N6O2/c1-5-28-13-15(11-26-28)16-8-17-18(9-21(16)31-4)25-12-20-22(17)29(23(30)27(20)3)19-6-7-24-10-14(19)2/h6-13H,5H2,1-4H3
InChIKeyNVKYWFFJRJXAIL-UHFFFAOYSA-N
XLogP3.47
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one (CID 122589426) is 8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one is CCn1cc(-c2cc3c(cc2OC)ncc2c3n(-c3ccncc3C)c(=O)n2C)cn1.
What is the InChIKey of 8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is NVKYWFFJRJXAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-5-28-13-15(11-26-28)16-8-17-18(9-21(16)31-4)25-12-20-22(17)29(23(30)27(20)3)19-6-7-24-10-14(19)2/h6-13H,5H2,1-4H3.
What are the key properties of 8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one?
8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 414.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).