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

C24H28N6O3 — CID 135599897

IUPAC3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCN1CCN(CCCOc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4cccc(O)c4)nc23)CC1
InChIInChI=1S/C24H28N6O3/c1-28-9-11-29(12-10-28)8-3-13-33-18-6-7-19-20(15-18)26-24(32)21-22(19)27-30(23(21)25)16-4-2-5-17(31)14-16/h2,4-7,14-15,31H,3,8-13,25H2,1H3,(H,26,32)
InChIKeyGIQANRWXZPJPKB-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.17
Rot. Bonds6

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

3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599897) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599897
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCN1CCN(CCCOc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4cccc(O)c4)nc23)CC1
InChIInChI=1S/C24H28N6O3/c1-28-9-11-29(12-10-28)8-3-13-33-18-6-7-19-20(15-18)26-24(32)21-22(19)27-30(23(21)25)16-4-2-5-17(31)14-16/h2,4-7,14-15,31H,3,8-13,25H2,1H3,(H,26,32)
InChIKeyGIQANRWXZPJPKB-UHFFFAOYSA-N
XLogP2.17
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599897) is 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one is CN1CCN(CCCOc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4cccc(O)c4)nc23)CC1.
What is the InChIKey of 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is GIQANRWXZPJPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-28-9-11-29(12-10-28)8-3-13-33-18-6-7-19-20(15-18)26-24(32)21-22(19)27-30(23(21)25)16-4-2-5-17(31)14-16/h2,4-7,14-15,31H,3,8-13,25H2,1H3,(H,26,32).
What are the key properties of 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 448.53 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).