5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione

C25H21N3O3 — CID 47015884

IUPAC5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
SMILESCc1cccc2c1N(C(=O)c1ccc3c(c1)C(=O)N(Cc1ccncc1)C3=O)CCC2
InChIInChI=1S/C25H21N3O3/c1-16-4-2-5-18-6-3-13-27(22(16)18)23(29)19-7-8-20-21(14-19)25(31)28(24(20)30)15-17-9-11-26-12-10-17/h2,4-5,7-12,14H,3,6,13,15H2,1H3
InChIKeyCAVZPWOQAHDWIL-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.78
Rot. Bonds3

About 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione

5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione (PubChem CID 47015884) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
PubChem CID47015884
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
SMILESCc1cccc2c1N(C(=O)c1ccc3c(c1)C(=O)N(Cc1ccncc1)C3=O)CCC2
InChIInChI=1S/C25H21N3O3/c1-16-4-2-5-18-6-3-13-27(22(16)18)23(29)19-7-8-20-21(14-19)25(31)28(24(20)30)15-17-9-11-26-12-10-17/h2,4-5,7-12,14H,3,6,13,15H2,1H3
InChIKeyCAVZPWOQAHDWIL-UHFFFAOYSA-N
XLogP3.78
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione with MolForge

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Related Compounds

5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
CID 9489440
N-(4-methylphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 2664713
5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 60704811
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxylate
CID 42898237
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
CID 119468549
5-(2,3-dimethylpiperazine-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione;dihydrochloride
CID 120571381
N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide
CID 1046640
5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
CID 120807163
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78836996
[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872122
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
2-(2-methylpropyl)-5-[4-(pyridine-4-carbonyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione
CID 108545802

Frequently Asked Questions

What is the IUPAC name of 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione (CID 47015884) is 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione is Cc1cccc2c1N(C(=O)c1ccc3c(c1)C(=O)N(Cc1ccncc1)C3=O)CCC2.
What is the InChIKey of 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione?
The InChIKey is CAVZPWOQAHDWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-16-4-2-5-18-6-3-13-27(22(16)18)23(29)19-7-8-20-21(14-19)25(31)28(24(20)30)15-17-9-11-26-12-10-17/h2,4-5,7-12,14H,3,6,13,15H2,1H3.
What are the key properties of 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione?
5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione has a molecular weight of 411.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 47015884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).