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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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).