4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

C27H25N3O2 — CID 71149748

IUPAC4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESCC(C)Oc1ccc(-c2ccncc2)c2c1CN(CCc1ccc3ccccc3n1)C2=O
InChIInChI=1S/C27H25N3O2/c1-18(2)32-25-10-9-22(19-11-14-28-15-12-19)26-23(25)17-30(27(26)31)16-13-21-8-7-20-5-3-4-6-24(20)29-21/h3-12,14-15,18H,13,16-17H2,1-2H3
InChIKeyYYMFAHIQWSQKLG-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.28
Rot. Bonds6

About 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 71149748) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
PubChem CID71149748
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESCC(C)Oc1ccc(-c2ccncc2)c2c1CN(CCc1ccc3ccccc3n1)C2=O
InChIInChI=1S/C27H25N3O2/c1-18(2)32-25-10-9-22(19-11-14-28-15-12-19)26-23(25)17-30(27(26)31)16-13-21-8-7-20-5-3-4-6-24(20)29-21/h3-12,14-15,18H,13,16-17H2,1-2H3
InChIKeyYYMFAHIQWSQKLG-UHFFFAOYSA-N
XLogP5.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

7-(4-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71150097
3,3-difluoro-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)isoindol-1-one
CID 71149559
7-(2,3-dimethoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149516
4-(2-methyl-1,3-thiazol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149492
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254
7-(6-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149812
4-(4-methoxyphenyl)-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2,2,2-trifluoroacetic acid
CID 71149402
7-isoquinolin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149889
7-(3-fluoro-5-methoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149822
4-[1-oxo-2-(2-quinolin-2-ylethyl)-3H-isoindol-4-yl]thiomorpholine-2,3-dione
CID 71152379
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (CID 71149748) is 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is CC(C)Oc1ccc(-c2ccncc2)c2c1CN(CCc1ccc3ccccc3n1)C2=O.
What is the InChIKey of 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is YYMFAHIQWSQKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-18(2)32-25-10-9-22(19-11-14-28-15-12-19)26-23(25)17-30(27(26)31)16-13-21-8-7-20-5-3-4-6-24(20)29-21/h3-12,14-15,18H,13,16-17H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 423.52 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 71149748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).