2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C23H30N2O3 — CID 55674160

IUPAC2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CCN1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C23H30N2O3/c1-15(2)16-9-10-20-17(14-16)6-5-12-24(20)21(26)11-13-25-22(27)18-7-3-4-8-19(18)23(25)28/h9-10,14-15,18-19H,3-8,11-13H2,1-2H3
InChIKeyBOWYHBACIJSSHG-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.65
Rot. Bonds4

About 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 55674160) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID55674160
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CCN1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C23H30N2O3/c1-15(2)16-9-10-20-17(14-16)6-5-12-24(20)21(26)11-13-25-22(27)18-7-3-4-8-19(18)23(25)28/h9-10,14-15,18-19H,3-8,11-13H2,1-2H3
InChIKeyBOWYHBACIJSSHG-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione with MolForge

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Related Compounds

2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19591085
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
2-(cyclopropylmethylamino)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119718812
1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
CID 55763771
4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 47080367
1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
CID 87025069
3-morpholin-4-yl-1-(5-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 90144710
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 87001063
1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 55674117
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 55674009
(3aR,7aS)-2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7768541

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 55674160) is 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is CC(C)c1ccc2c(c1)CCCN2C(=O)CCN1C(=O)C2CCCCC2C1=O.
What is the InChIKey of 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is BOWYHBACIJSSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)16-9-10-20-17(14-16)6-5-12-24(20)21(26)11-13-25-22(27)18-7-3-4-8-19(18)23(25)28/h9-10,14-15,18-19H,3-8,11-13H2,1-2H3.
What are the key properties of 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 382.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 55674160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).