2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline

C24H24F3N5O — CID 59320604

IUPAC2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline
SMILESCOc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C24H24F3N5O/c1-30-9-11-31(12-10-30)23-22-20(19-13-17(24(25,26)27)5-8-21(19)28-23)15-32(29-22)14-16-3-6-18(33-2)7-4-16/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeySDGAVHAXRKXANL-UHFFFAOYSA-N
MW455.48 g/mol
LogP4.41
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline

2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline (PubChem CID 59320604) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline
PubChem CID59320604
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline
SMILESCOc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C24H24F3N5O/c1-30-9-11-31(12-10-30)23-22-20(19-13-17(24(25,26)27)5-8-21(19)28-23)15-32(29-22)14-16-3-6-18(33-2)7-4-16/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeySDGAVHAXRKXANL-UHFFFAOYSA-N
XLogP4.41
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline (CID 59320604) is 2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline is COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline?
The InChIKey is SDGAVHAXRKXANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O/c1-30-9-11-31(12-10-30)23-22-20(19-13-17(24(25,26)27)5-8-21(19)28-23)15-32(29-22)14-16-3-6-18(33-2)7-4-16/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline?
2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline has a molecular weight of 455.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline is sourced from PubChem (CID 59320604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).