1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone

C22H22N4O — CID 85480611

IUPAC1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone
SMILESCc1cccc2c(C(=O)N3Cc4ccccc4C3)cc(C3CNNC3)nc12
InChIInChI=1S/C22H22N4O/c1-14-5-4-8-18-19(9-20(25-21(14)18)17-10-23-24-11-17)22(27)26-12-15-6-2-3-7-16(15)13-26/h2-9,17,23-24H,10-13H2,1H3
InChIKeyDVNCIPJXISURAC-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.89
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone

1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone (PubChem CID 85480611) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone
PubChem CID85480611
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone
SMILESCc1cccc2c(C(=O)N3Cc4ccccc4C3)cc(C3CNNC3)nc12
InChIInChI=1S/C22H22N4O/c1-14-5-4-8-18-19(9-20(25-21(14)18)17-10-23-24-11-17)22(27)26-12-15-6-2-3-7-16(15)13-26/h2-9,17,23-24H,10-13H2,1H3
InChIKeyDVNCIPJXISURAC-UHFFFAOYSA-N
XLogP2.89
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone (CID 85480611) is 1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone is Cc1cccc2c(C(=O)N3Cc4ccccc4C3)cc(C3CNNC3)nc12.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone?
The InChIKey is DVNCIPJXISURAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-5-4-8-18-19(9-20(25-21(14)18)17-10-23-24-11-17)22(27)26-12-15-6-2-3-7-16(15)13-26/h2-9,17,23-24H,10-13H2,1H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone?
1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone has a molecular weight of 358.44 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 85480611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).