1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one

C23H23NO4 — CID 110618354

IUPAC1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)CC(c2ccc3c(c2)OCCO3)C2CC2)c2ccccc21
InChIInChI=1S/C23H23NO4/c25-20-9-10-24(19-4-2-1-3-17(19)20)23(26)14-18(15-5-6-15)16-7-8-21-22(13-16)28-12-11-27-21/h1-4,7-8,13,15,18H,5-6,9-12,14H2
InChIKeyGKDDGGZDSXXBFV-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.96
Rot. Bonds4

About 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one

1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one (PubChem CID 110618354) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one
PubChem CID110618354
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)CC(c2ccc3c(c2)OCCO3)C2CC2)c2ccccc21
InChIInChI=1S/C23H23NO4/c25-20-9-10-24(19-4-2-1-3-17(19)20)23(26)14-18(15-5-6-15)16-7-8-21-22(13-16)28-12-11-27-21/h1-4,7-8,13,15,18H,5-6,9-12,14H2
InChIKeyGKDDGGZDSXXBFV-UHFFFAOYSA-N
XLogP3.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110618352
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110297520
ethyl 4-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazine-1-carboxylate
CID 110297519
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one
CID 155282498
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110297543
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 110297488
N-[(4-chlorophenyl)methyl]-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110297500
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 2708586
3-[3-(1,3-benzodioxol-5-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10735812
3-cyclopropyl-1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-3-phenylpropan-1-one
CID 110616125
N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide
CID 110371304

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one (CID 110618354) is 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)CC(c2ccc3c(c2)OCCO3)C2CC2)c2ccccc21.
What is the InChIKey of 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one?
The InChIKey is GKDDGGZDSXXBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c25-20-9-10-24(19-4-2-1-3-17(19)20)23(26)14-18(15-5-6-15)16-7-8-21-22(13-16)28-12-11-27-21/h1-4,7-8,13,15,18H,5-6,9-12,14H2.
What are the key properties of 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one?
1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one has a molecular weight of 377.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110618354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).