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

C24H19N3O3 — CID 142445929

IUPAC4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)cc1OC
InChIInChI=1S/C24H19N3O3/c1-29-22-10-5-15(11-23(22)30-2)17-12-21(14-3-6-16(28)7-4-14)26-20-9-8-19-18(24(17)20)13-25-27-19/h3-13,28H,1-2H3,(H,25,27)
InChIKeyZDAYIHPYSLQXKF-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.17
Rot. Bonds4

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

4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol (PubChem CID 142445929) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol.

Molecular Properties

Compound Name4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol
PubChem CID142445929
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)cc1OC
InChIInChI=1S/C24H19N3O3/c1-29-22-10-5-15(11-23(22)30-2)17-12-21(14-3-6-16(28)7-4-14)26-20-9-8-19-18(24(17)20)13-25-27-19/h3-13,28H,1-2H3,(H,25,27)
InChIKeyZDAYIHPYSLQXKF-UHFFFAOYSA-N
XLogP5.17
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?
The IUPAC name of 4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol (CID 142445929) is 4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol.
What is the SMILES notation for 4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?
The canonical SMILES for 4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol is COc1ccc(-c2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)cc1OC.
What is the InChIKey of 4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?
The InChIKey is ZDAYIHPYSLQXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-29-22-10-5-15(11-23(22)30-2)17-12-21(14-3-6-16(28)7-4-14)26-20-9-8-19-18(24(17)20)13-25-27-19/h3-13,28H,1-2H3,(H,25,27).
What are the key properties of 4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?
4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol has a molecular weight of 397.43 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(3,4-dimethoxyphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol is sourced from PubChem (CID 142445929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).