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

C19H16N6O2S — CID 122589410

IUPAC7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1nccs1)c(=O)n3C
InChIInChI=1S/C19H16N6O2S/c1-23-10-11(8-22-23)12-6-13-14(7-16(12)27-3)21-9-15-17(13)25(19(26)24(15)2)18-20-4-5-28-18/h4-10H,1-3H3
InChIKeyALRPJEJNHMJKFV-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.74
Rot. Bonds3

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

7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589410) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589410
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1nccs1)c(=O)n3C
InChIInChI=1S/C19H16N6O2S/c1-23-10-11(8-22-23)12-6-13-14(7-16(12)27-3)21-9-15-17(13)25(19(26)24(15)2)18-20-4-5-28-18/h4-10H,1-3H3
InChIKeyALRPJEJNHMJKFV-UHFFFAOYSA-N
XLogP2.74
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one (CID 122589410) is 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1nccs1)c(=O)n3C.
What is the InChIKey of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is ALRPJEJNHMJKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-23-10-11(8-22-23)12-6-13-14(7-16(12)27-3)21-9-15-17(13)25(19(26)24(15)2)18-20-4-5-28-18/h4-10H,1-3H3.
What are the key properties of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one?
7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 392.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-2-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).