7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline

C22H26N4 — CID 163611881

IUPAC7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline
SMILESCCCC1=C(C)C2=C(C=CC3NN=CC23)NC1C1=CC2C=NCC2C=C1
InChIInChI=1S/C22H26N4/c1-3-4-17-13(2)21-18-12-24-26-19(18)7-8-20(21)25-22(17)14-5-6-15-10-23-11-16(15)9-14/h5-9,11-12,15-16,18-19,22,25-26H,3-4,10H2,1-2H3
InChIKeyIUXIAIAPDVPLFB-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.29
Rot. Bonds3

About 7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline

7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline (PubChem CID 163611881) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline.

Molecular Properties

Compound Name7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline
PubChem CID163611881
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline
SMILESCCCC1=C(C)C2=C(C=CC3NN=CC23)NC1C1=CC2C=NCC2C=C1
InChIInChI=1S/C22H26N4/c1-3-4-17-13(2)21-18-12-24-26-19(18)7-8-20(21)25-22(17)14-5-6-15-10-23-11-16(15)9-14/h5-9,11-12,15-16,18-19,22,25-26H,3-4,10H2,1-2H3
InChIKeyIUXIAIAPDVPLFB-UHFFFAOYSA-N
XLogP3.29
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline?
The IUPAC name of 7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline (CID 163611881) is 7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline.
What is the SMILES notation for 7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline?
The canonical SMILES for 7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline is CCCC1=C(C)C2=C(C=CC3NN=CC23)NC1C1=CC2C=NCC2C=C1.
What is the InChIKey of 7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline?
The InChIKey is IUXIAIAPDVPLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-3-4-17-13(2)21-18-12-24-26-19(18)7-8-20(21)25-22(17)14-5-6-15-10-23-11-16(15)9-14/h5-9,11-12,15-16,18-19,22,25-26H,3-4,10H2,1-2H3.
What are the key properties of 7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline?
7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline has a molecular weight of 346.48 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3a,7a-dihydro-1H-isoindol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline is sourced from PubChem (CID 163611881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).