3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one

C23H27N7O2 — CID 135599857

IUPAC3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCN1CCN(CCNc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4cccc(O)c4)nc23)CC1
InChIInChI=1S/C23H27N7O2/c1-28-9-11-29(12-10-28)8-7-25-15-5-6-18-19(13-15)26-23(32)20-21(18)27-30(22(20)24)16-3-2-4-17(31)14-16/h2-6,13-14,25,31H,7-12,24H2,1H3,(H,26,32)
InChIKeyOTNIXBDOZVYUPH-UHFFFAOYSA-N
MW433.52 g/mol
LogP1.81
Rot. Bonds5

About 3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599857) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599857
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCN1CCN(CCNc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4cccc(O)c4)nc23)CC1
InChIInChI=1S/C23H27N7O2/c1-28-9-11-29(12-10-28)8-7-25-15-5-6-18-19(13-15)26-23(32)20-21(18)27-30(22(20)24)16-3-2-4-17(31)14-16/h2-6,13-14,25,31H,7-12,24H2,1H3,(H,26,32)
InChIKeyOTNIXBDOZVYUPH-UHFFFAOYSA-N
XLogP1.81
TPSA115.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599857) is 3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one is CN1CCN(CCNc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4cccc(O)c4)nc23)CC1.
What is the InChIKey of 3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is OTNIXBDOZVYUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-28-9-11-29(12-10-28)8-7-25-15-5-6-18-19(13-15)26-23(32)20-21(18)27-30(22(20)24)16-3-2-4-17(31)14-16/h2-6,13-14,25,31H,7-12,24H2,1H3,(H,26,32).
What are the key properties of 3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 433.52 g/mol, XLogP of 1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).