methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate

C21H19N3O4 — CID 102206113

IUPACmethyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate
SMILESCOC(=O)Cc1cc(-c2ccc(OC)c(OC)c2)nc2ccc3[nH]ncc3c12
InChIInChI=1S/C21H19N3O4/c1-26-18-7-4-12(9-19(18)27-2)17-8-13(10-20(25)28-3)21-14-11-22-24-15(14)5-6-16(21)23-17/h4-9,11H,10H2,1-3H3,(H,22,24)
InChIKeyVIKNCLNMTFUNRT-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.51
Rot. Bonds5

About methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate

methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate (PubChem CID 102206113) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate
PubChem CID102206113
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Namemethyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate
SMILESCOC(=O)Cc1cc(-c2ccc(OC)c(OC)c2)nc2ccc3[nH]ncc3c12
InChIInChI=1S/C21H19N3O4/c1-26-18-7-4-12(9-19(18)27-2)17-8-13(10-20(25)28-3)21-14-11-22-24-15(14)5-6-16(21)23-17/h4-9,11H,10H2,1-3H3,(H,22,24)
InChIKeyVIKNCLNMTFUNRT-UHFFFAOYSA-N
XLogP3.51
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate?
The IUPAC name of methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate (CID 102206113) is methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate.
What is the SMILES notation for methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate?
The canonical SMILES for methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate is COC(=O)Cc1cc(-c2ccc(OC)c(OC)c2)nc2ccc3[nH]ncc3c12.
What is the InChIKey of methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate?
The InChIKey is VIKNCLNMTFUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-18-7-4-12(9-19(18)27-2)17-8-13(10-20(25)28-3)21-14-11-22-24-15(14)5-6-16(21)23-17/h4-9,11H,10H2,1-3H3,(H,22,24).
What are the key properties of methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate?
methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate has a molecular weight of 377.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]acetate is sourced from PubChem (CID 102206113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).