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

C20H19N7O2 — CID 122589326

IUPAC1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1cn(C)nc1C)c(=O)n3C
InChIInChI=1S/C20H19N7O2/c1-11-17(10-25(2)24-11)27-19-14-5-13(12-7-22-23-8-12)18(29-4)6-15(14)21-9-16(19)26(3)20(27)28/h5-10H,1-4H3,(H,22,23)
InChIKeyAAKDVCHEOWNPHE-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.32
Rot. Bonds3

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

1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589326) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589326
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1cn(C)nc1C)c(=O)n3C
InChIInChI=1S/C20H19N7O2/c1-11-17(10-25(2)24-11)27-19-14-5-13(12-7-22-23-8-12)18(29-4)6-15(14)21-9-16(19)26(3)20(27)28/h5-10H,1-4H3,(H,22,23)
InChIKeyAAKDVCHEOWNPHE-UHFFFAOYSA-N
XLogP2.32
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122589326) is 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1cn(C)nc1C)c(=O)n3C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is AAKDVCHEOWNPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-11-17(10-25(2)24-11)27-19-14-5-13(12-7-22-23-8-12)18(29-4)6-15(14)21-9-16(19)26(3)20(27)28/h5-10H,1-4H3,(H,22,23).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 389.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).