8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane

C39H44Cl2N10O — CID 157222752

IUPAC8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane
SMILESC.CN1CCN(c2nc3ccc(Cl)cc3c3cn[nH]c23)CC1.COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C23H24ClN5O.C15H16ClN5.CH4/c1-27-9-11-28(12-10-27)23-22-20(19-13-17(24)5-8-21(19)25-23)15-29(26-22)14-16-3-6-18(30-2)7-4-16;1-20-4-6-21(7-5-20)15-14-12(9-17-19-14)11-8-10(16)2-3-13(11)18-15;/h3-8,13,15H,9-12,14H2,1-2H3;2-3,8-9H,4-7H2,1H3,(H,17,19);1H4
InChIKeyATEKWYPVGRVXBB-UHFFFAOYSA-N
MW739.76 g/mol
LogP7.20
Rot. Bonds5

About 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane

8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane (PubChem CID 157222752) has the molecular formula C39H44Cl2N10O and a molecular weight of 739.76 g/mol. Its IUPAC name is 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane.

Molecular Properties

Compound Name8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane
PubChem CID157222752
Molecular FormulaC39H44Cl2N10O
Molecular Weight739.76 g/mol
Exact Mass738.31
IUPAC Name8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane
SMILESC.CN1CCN(c2nc3ccc(Cl)cc3c3cn[nH]c23)CC1.COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C23H24ClN5O.C15H16ClN5.CH4/c1-27-9-11-28(12-10-27)23-22-20(19-13-17(24)5-8-21(19)25-23)15-29(26-22)14-16-3-6-18(30-2)7-4-16;1-20-4-6-21(7-5-20)15-14-12(9-17-19-14)11-8-10(16)2-3-13(11)18-15;/h3-8,13,15H,9-12,14H2,1-2H3;2-3,8-9H,4-7H2,1H3,(H,17,19);1H4
InChIKeyATEKWYPVGRVXBB-UHFFFAOYSA-N
XLogP7.20
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.76
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane with MolForge

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Related Compounds

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4-chloro-2-[(4-methoxyphenyl)methyl]-1-(trifluoromethyl)pyrazolo[3,4-c]quinoline;N-(1H-indazol-6-yl)-1-(trifluoromethyl)-2H-pyrazolo[3,4-c]quinolin-4-amine
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4-chloro-2-[(4-methoxyphenyl)methyl]-1-(trifluoromethyl)pyrazolo[3,4-c]quinoline;N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(trifluoromethyl)-2H-pyrazolo[3,4-c]quinolin-4-amine
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4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[3,4-c]quinolin-4-amine
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CID 46931717

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane?
The IUPAC name of 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane (CID 157222752) is 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane.
What is the SMILES notation for 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane?
The canonical SMILES for 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane is C.CN1CCN(c2nc3ccc(Cl)cc3c3cn[nH]c23)CC1.COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(Cl)cc23)cc1.
What is the InChIKey of 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane?
The InChIKey is ATEKWYPVGRVXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O.C15H16ClN5.CH4/c1-27-9-11-28(12-10-27)23-22-20(19-13-17(24)5-8-21(19)25-23)15-29(26-22)14-16-3-6-18(30-2)7-4-16;1-20-4-6-21(7-5-20)15-14-12(9-17-19-14)11-8-10(16)2-3-13(11)18-15;/h3-8,13,15H,9-12,14H2,1-2H3;2-3,8-9H,4-7H2,1H3,(H,17,19);1H4.
What are the key properties of 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane?
8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane has a molecular weight of 739.76 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane is sourced from PubChem (CID 157222752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).