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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Related Compounds

US10457677, Example 33
CID 122589364
US10457677, Example 36
CID 122589382
US10457677, Example 25
CID 122589411
US10457677, Example 26
CID 122589412
US10457677, Example 110
CID 122589414
US10457677, Example 203
CID 122589423
US10457677, Example 14
CID 122589424
US10457677, Example 24
CID 122589434
US10457677, Example 22
CID 122589435
US10457677, Example 16
CID 122589436
US10457677, Example 18
CID 122589442
US10457677, Example 27
CID 122589447

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).