4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol

C21H21N5O — CID 142445901

IUPAC4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol
SMILESCN1CCN(c2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)CC1
InChIInChI=1S/C21H21N5O/c1-25-8-10-26(11-9-25)20-12-19(14-2-4-15(27)5-3-14)23-18-7-6-17-16(21(18)20)13-22-24-17/h2-7,12-13,27H,8-11H2,1H3,(H,22,24)
InChIKeyKVSCYBVAQKMHIY-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.24
Rot. Bonds2

About 4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol

4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol (PubChem CID 142445901) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol.

Molecular Properties

Compound Name4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol
PubChem CID142445901
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol
SMILESCN1CCN(c2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)CC1
InChIInChI=1S/C21H21N5O/c1-25-8-10-26(11-9-25)20-12-19(14-2-4-15(27)5-3-14)23-18-7-6-17-16(21(18)20)13-22-24-17/h2-7,12-13,27H,8-11H2,1H3,(H,22,24)
InChIKeyKVSCYBVAQKMHIY-UHFFFAOYSA-N
XLogP3.24
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?
The IUPAC name of 4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol (CID 142445901) is 4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol.
What is the SMILES notation for 4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?
The canonical SMILES for 4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol is CN1CCN(c2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)CC1.
What is the InChIKey of 4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?
The InChIKey is KVSCYBVAQKMHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-25-8-10-26(11-9-25)20-12-19(14-2-4-15(27)5-3-14)23-18-7-6-17-16(21(18)20)13-22-24-17/h2-7,12-13,27H,8-11H2,1H3,(H,22,24).
What are the key properties of 4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?
4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol has a molecular weight of 359.43 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol is sourced from PubChem (CID 142445901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).