3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one

C23H25N5O — CID 136952455

IUPAC3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one
SMILESCC(c1ccccc1)c1cc2cc3c(N4CCN(C)CC4)n[nH]c3cc2[nH]c1=O
InChIInChI=1S/C23H25N5O/c1-15(16-6-4-3-5-7-16)18-12-17-13-19-21(14-20(17)24-23(18)29)25-26-22(19)28-10-8-27(2)9-11-28/h3-7,12-15H,8-11H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyKOGNACMRDSFXPB-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.31
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one

3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one (PubChem CID 136952455) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one
PubChem CID136952455
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one
SMILESCC(c1ccccc1)c1cc2cc3c(N4CCN(C)CC4)n[nH]c3cc2[nH]c1=O
InChIInChI=1S/C23H25N5O/c1-15(16-6-4-3-5-7-16)18-12-17-13-19-21(14-20(17)24-23(18)29)25-26-22(19)28-10-8-27(2)9-11-28/h3-7,12-15H,8-11H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyKOGNACMRDSFXPB-UHFFFAOYSA-N
XLogP3.31
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one (CID 136952455) is 3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one is CC(c1ccccc1)c1cc2cc3c(N4CCN(C)CC4)n[nH]c3cc2[nH]c1=O.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one?
The InChIKey is KOGNACMRDSFXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-15(16-6-4-3-5-7-16)18-12-17-13-19-21(14-20(17)24-23(18)29)25-26-22(19)28-10-8-27(2)9-11-28/h3-7,12-15H,8-11H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of 3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one?
3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one has a molecular weight of 387.49 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one is sourced from PubChem (CID 136952455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).