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

C24H29N7O2 — CID 135599887

IUPAC3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCN1CCN(CCCNc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4cccc(O)c4)nc23)CC1
InChIInChI=1S/C24H29N7O2/c1-29-10-12-30(13-11-29)9-3-8-26-16-6-7-19-20(14-16)27-24(33)21-22(19)28-31(23(21)25)17-4-2-5-18(32)15-17/h2,4-7,14-15,26,32H,3,8-13,25H2,1H3,(H,27,33)
InChIKeyXPNFVXOPFLDNCK-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.20
Rot. Bonds6

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

3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599887) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599887
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCN1CCN(CCCNc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4cccc(O)c4)nc23)CC1
InChIInChI=1S/C24H29N7O2/c1-29-10-12-30(13-11-29)9-3-8-26-16-6-7-19-20(14-16)27-24(33)21-22(19)28-31(23(21)25)17-4-2-5-18(32)15-17/h2,4-7,14-15,26,32H,3,8-13,25H2,1H3,(H,27,33)
InChIKeyXPNFVXOPFLDNCK-UHFFFAOYSA-N
XLogP2.20
TPSA115.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Hydroxy-phenyl)-3-methyl-1,9-dihydro-pyrazolo[3,4-b]quinolin-4-one
CID 135511875
3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599889
(E)-N-[14-amino-15-(2-fluoro-5-hydroxyphenyl)-12-oxo-11,15,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,13,16-hexaen-6-yl]-4-(dimethylamino)but-2-enamide
CID 136966795
3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-(4-methoxybenzyl)-2,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one
CID 23153827
3-Amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153925
3-Amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one
CID 23153935
3-Amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23154140
3-amino-2-(2-chloro-5-hydroxyphenyl)-2,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one
CID 135458167
3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135462066
3-amino-2-(5-hydroxy-2,4-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135497041
3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135502650
3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135537698

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599887) is 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-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)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one is CN1CCN(CCCNc2ccc3c(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)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is XPNFVXOPFLDNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-29-10-12-30(13-11-29)9-3-8-26-16-6-7-19-20(14-16)27-24(33)21-22(19)28-31(23(21)25)17-4-2-5-18(32)15-17/h2,4-7,14-15,26,32H,3,8-13,25H2,1H3,(H,27,33).
What are the key properties of 3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 447.54 g/mol, XLogP of 2.20, 6 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-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).