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

C21H21N7O2 — CID 134325539

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(C)n[nH]c1C)c(=O)n3C
InChIInChI=1S/C21H21N7O2/c1-11-19(12(2)25-24-11)28-20-15-6-14(13-8-23-26(3)10-13)18(30-5)7-16(15)22-9-17(20)27(4)21(28)29/h6-10H,1-5H3,(H,24,25)
InChIKeyLHQDMPSJQROICE-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.63
Rot. Bonds3

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

1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325539) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325539
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(C)n[nH]c1C)c(=O)n3C
InChIInChI=1S/C21H21N7O2/c1-11-19(12(2)25-24-11)28-20-15-6-14(13-8-23-26(3)10-13)18(30-5)7-16(15)22-9-17(20)27(4)21(28)29/h6-10H,1-5H3,(H,24,25)
InChIKeyLHQDMPSJQROICE-UHFFFAOYSA-N
XLogP2.63
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325539) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(C)n[nH]c1C)c(=O)n3C.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is LHQDMPSJQROICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-11-19(12(2)25-24-11)28-20-15-6-14(13-8-23-26(3)10-13)18(30-5)7-16(15)22-9-17(20)27(4)21(28)29/h6-10H,1-5H3,(H,24,25).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 403.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).