1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione

C25H25N3O4 — CID 2228747

IUPAC1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12
InChIInChI=1S/C25H25N3O4/c29-23(28-11-5-7-18-6-1-3-9-21(18)28)17-27-16-20(19-8-2-4-10-22(19)27)24(30)25(31)26-12-14-32-15-13-26/h1-4,6,8-10,16H,5,7,11-15,17H2
InChIKeyQNIYJWBJCYIWPW-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.66
Rot. Bonds4

About 1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione

1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 2228747) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID2228747
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12
InChIInChI=1S/C25H25N3O4/c29-23(28-11-5-7-18-6-1-3-9-21(18)28)17-27-16-20(19-8-2-4-10-22(19)27)24(30)25(31)26-12-14-32-15-13-26/h1-4,6,8-10,16H,5,7,11-15,17H2
InChIKeyQNIYJWBJCYIWPW-UHFFFAOYSA-N
XLogP2.66
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
CID 4075467
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(furan-2-carbonyl)indol-1-yl]ethanone
CID 1241915
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562384
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
CID 20911285
1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
CID 4067931
N-(4-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 18562361
1-[1-[4-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]butyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 53248812
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170655
N-(4-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085759
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]ethane-1,2-dione
CID 24891905
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 16812432
1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 54580817

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (CID 2228747) is 1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCOCC1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12.
What is the InChIKey of 1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is QNIYJWBJCYIWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-23(28-11-5-7-18-6-1-3-9-21(18)28)17-27-16-20(19-8-2-4-10-22(19)27)24(30)25(31)26-12-14-32-15-13-26/h1-4,6,8-10,16H,5,7,11-15,17H2.
What are the key properties of 1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 431.49 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 2228747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).