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

C38H40Cl2N10O — CID 158529668

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
SMILESCN1CCN(c2nc3ccc(Cl)cc3c3cn[nH]c23)CC1.COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C23H24ClN5O.C15H16ClN5/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)
InChIKeyHNFBNWMTLJIBDA-UHFFFAOYSA-N
MW723.71 g/mol
LogP6.56
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

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 (PubChem CID 158529668) has the molecular formula C38H40Cl2N10O and a molecular weight of 723.71 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.

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
PubChem CID158529668
Molecular FormulaC38H40Cl2N10O
Molecular Weight723.71 g/mol
Exact Mass722.28
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
SMILESCN1CCN(c2nc3ccc(Cl)cc3c3cn[nH]c23)CC1.COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C23H24ClN5O.C15H16ClN5/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)
InChIKeyHNFBNWMTLJIBDA-UHFFFAOYSA-N
XLogP6.56
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.71
LogP ≤ 56.56
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 with MolForge

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Related Compounds

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CID 124199828
US10174028, Example 690
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CID 68912954
4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine
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7-(5-chloro-1H-indol-3-yl)-1-methyl-3-propyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[4,5-d]pyrimidine
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4-chloro-8-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-fluoro-4-(trifluoromethyl)phenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine
CID 159908271
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
CID 161664722
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
CID 162249423
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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6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine
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N-[2-(5-chloro-1H-indol-3-yl)ethyl]-9-[(4-methoxyphenyl)methyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine
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?
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 (CID 158529668) 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.
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?
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 is 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?
The InChIKey is HNFBNWMTLJIBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O.C15H16ClN5/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).
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?
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 has a molecular weight of 723.71 g/mol, XLogP of 6.56, 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 is sourced from PubChem (CID 158529668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).