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

C21H21N7O2 — CID 134325523

IUPAC1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1[nH]ncc1C)n(-c1cn(C)nc1C)c(=O)n3C
InChIInChI=1S/C21H21N7O2/c1-11-8-23-24-19(11)14-6-13-15(7-18(14)30-5)22-9-16-20(13)28(21(29)27(16)4)17-10-26(3)25-12(17)2/h6-10H,1-5H3,(H,23,24)
InChIKeyPWWGMXPNFBYWLH-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.63
Rot. Bonds3

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

1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325523) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325523
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1[nH]ncc1C)n(-c1cn(C)nc1C)c(=O)n3C
InChIInChI=1S/C21H21N7O2/c1-11-8-23-24-19(11)14-6-13-15(7-18(14)30-5)22-9-16-20(13)28(21(29)27(16)4)17-10-26(3)25-12(17)2/h6-10H,1-5H3,(H,23,24)
InChIKeyPWWGMXPNFBYWLH-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-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one (CID 134325523) is 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-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-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1[nH]ncc1C)n(-c1cn(C)nc1C)c(=O)n3C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is PWWGMXPNFBYWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-11-8-23-24-19(11)14-6-13-15(7-18(14)30-5)22-9-16-20(13)28(21(29)27(16)4)17-10-26(3)25-12(17)2/h6-10H,1-5H3,(H,23,24).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one?
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-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-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).