3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione

C26H23N3O3 — CID 110565674

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CCCc3ccccc32)C(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C26H23N3O3/c1-32-22-13-5-3-11-20(22)23-24(28-15-7-10-19-9-2-4-12-21(19)28)26(31)29(25(23)30)17-18-8-6-14-27-16-18/h2-6,8-9,11-14,16H,7,10,15,17H2,1H3
InChIKeyUTFKSDWCMPZQTK-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.82
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione

3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione (PubChem CID 110565674) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
PubChem CID110565674
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CCCc3ccccc32)C(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C26H23N3O3/c1-32-22-13-5-3-11-20(22)23-24(28-15-7-10-19-9-2-4-12-21(19)28)26(31)29(25(23)30)17-18-8-6-14-27-16-18/h2-6,8-9,11-14,16H,7,10,15,17H2,1H3
InChIKeyUTFKSDWCMPZQTK-UHFFFAOYSA-N
XLogP3.82
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110572220
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110566300
3-(3,4-dihydro-2H-quinolin-1-yl)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566334
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110556672
3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565691
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(dimethylamino)phenyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567714
3-(4-chlorophenyl)sulfanyl-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110565681
1-benzyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546487
1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566421
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552461
1-(4-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567538
1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110578391

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione (CID 110565674) is 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione is COc1ccccc1C1=C(N2CCCc3ccccc32)C(=O)N(Cc2cccnc2)C1=O.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione?
The InChIKey is UTFKSDWCMPZQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-32-22-13-5-3-11-20(22)23-24(28-15-7-10-19-9-2-4-12-21(19)28)26(31)29(25(23)30)17-18-8-6-14-27-16-18/h2-6,8-9,11-14,16H,7,10,15,17H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione?
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione has a molecular weight of 425.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110565674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).