8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline

C30H31N5O2 — CID 171853891

IUPAC8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(-c2nn(-c3cc(N4CCN(C)CC4)ccc3C)c3c2cnc2ccc(OC)cc23)c1
InChIInChI=1S/C30H31N5O2/c1-20-8-9-22(34-14-12-33(2)13-15-34)17-28(20)35-30-25-18-24(37-4)10-11-27(25)31-19-26(30)29(32-35)21-6-5-7-23(16-21)36-3/h5-11,16-19H,12-15H2,1-4H3
InChIKeyOLNGAQSOYLRALE-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.32
Rot. Bonds5

About 8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline

8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline (PubChem CID 171853891) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline
PubChem CID171853891
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(-c2nn(-c3cc(N4CCN(C)CC4)ccc3C)c3c2cnc2ccc(OC)cc23)c1
InChIInChI=1S/C30H31N5O2/c1-20-8-9-22(34-14-12-33(2)13-15-34)17-28(20)35-30-25-18-24(37-4)10-11-27(25)31-19-26(30)29(32-35)21-6-5-7-23(16-21)36-3/h5-11,16-19H,12-15H2,1-4H3
InChIKeyOLNGAQSOYLRALE-UHFFFAOYSA-N
XLogP5.32
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline (CID 171853891) is 8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline is COc1cccc(-c2nn(-c3cc(N4CCN(C)CC4)ccc3C)c3c2cnc2ccc(OC)cc23)c1.
What is the InChIKey of 8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline?
The InChIKey is OLNGAQSOYLRALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-20-8-9-22(34-14-12-33(2)13-15-34)17-28(20)35-30-25-18-24(37-4)10-11-27(25)31-19-26(30)29(32-35)21-6-5-7-23(16-21)36-3/h5-11,16-19H,12-15H2,1-4H3.
What are the key properties of 8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline?
8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline has a molecular weight of 493.61 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 171853891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).