1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C18H27N3O2 — CID 22711893

IUPAC1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2ccc(OCN3CC(C)NC(C)C3)cc21
InChIInChI=1S/C18H27N3O2/c1-13-10-20(11-14(2)19-13)12-23-17-7-6-16-5-4-8-21(15(3)22)18(16)9-17/h6-7,9,13-14,19H,4-5,8,10-12H2,1-3H3
InChIKeyPASWYNODULUZMX-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.00
Rot. Bonds3

About 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 22711893) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID22711893
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2ccc(OCN3CC(C)NC(C)C3)cc21
InChIInChI=1S/C18H27N3O2/c1-13-10-20(11-14(2)19-13)12-23-17-7-6-16-5-4-8-21(15(3)22)18(16)9-17/h6-7,9,13-14,19H,4-5,8,10-12H2,1-3H3
InChIKeyPASWYNODULUZMX-UHFFFAOYSA-N
XLogP2.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 22711893) is 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2ccc(OCN3CC(C)NC(C)C3)cc21.
What is the InChIKey of 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is PASWYNODULUZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-10-20(11-14(2)19-13)12-23-17-7-6-16-5-4-8-21(15(3)22)18(16)9-17/h6-7,9,13-14,19H,4-5,8,10-12H2,1-3H3.
What are the key properties of 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 317.43 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 22711893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).