2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione

C23H24N2O3 — CID 112762075

IUPAC2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione
SMILESCCCCN1C(=O)c2ccc(C(=O)N3CCCc4cc(C)ccc43)cc2C1=O
InChIInChI=1S/C23H24N2O3/c1-3-4-11-25-22(27)18-9-8-17(14-19(18)23(25)28)21(26)24-12-5-6-16-13-15(2)7-10-20(16)24/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyDGFXUFJCKHGRJJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.98
Rot. Bonds4

About 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione

2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione (PubChem CID 112762075) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione
PubChem CID112762075
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione
SMILESCCCCN1C(=O)c2ccc(C(=O)N3CCCc4cc(C)ccc43)cc2C1=O
InChIInChI=1S/C23H24N2O3/c1-3-4-11-25-22(27)18-9-8-17(14-19(18)23(25)28)21(26)24-12-5-6-16-13-15(2)7-10-20(16)24/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyDGFXUFJCKHGRJJ-UHFFFAOYSA-N
XLogP3.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione with MolForge

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Related Compounds

(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
2-butyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 112799563
2-butyl-5-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)isoindole-1,3-dione
CID 27674268
5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-butylisoindole-1,3-dione
CID 119595940
2-butyl-5-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 55556726
(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24696393
2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
CID 119563122
[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24655662

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione?
The IUPAC name of 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione (CID 112762075) is 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione.
What is the SMILES notation for 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione?
The canonical SMILES for 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione is CCCCN1C(=O)c2ccc(C(=O)N3CCCc4cc(C)ccc43)cc2C1=O.
What is the InChIKey of 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione?
The InChIKey is DGFXUFJCKHGRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-4-11-25-22(27)18-9-8-17(14-19(18)23(25)28)21(26)24-12-5-6-16-13-15(2)7-10-20(16)24/h7-10,13-14H,3-6,11-12H2,1-2H3.
What are the key properties of 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione?
2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione has a molecular weight of 376.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)isoindole-1,3-dione is sourced from PubChem (CID 112762075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).