1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one

C24H25N3O3 — CID 45487320

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one
SMILESCC(Oc1cccc2cccnc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C24H25N3O3/c1-17-16-26(24(29)20-8-4-3-5-9-20)14-15-27(17)23(28)18(2)30-21-12-6-10-19-11-7-13-25-22(19)21/h3-13,17-18H,14-16H2,1-2H3/t17-,18?/m1/s1
InChIKeyPILWBQABZMEXDS-QNSVNVJESA-N
MW403.48 g/mol
LogP3.38
Rot. Bonds4

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one (PubChem CID 45487320) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one
PubChem CID45487320
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one
SMILESCC(Oc1cccc2cccnc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C24H25N3O3/c1-17-16-26(24(29)20-8-4-3-5-9-20)14-15-27(17)23(28)18(2)30-21-12-6-10-19-11-7-13-25-22(19)21/h3-13,17-18H,14-16H2,1-2H3/t17-,18?/m1/s1
InChIKeyPILWBQABZMEXDS-QNSVNVJESA-N
XLogP3.38
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one 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-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one (CID 45487320) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one is CC(Oc1cccc2cccnc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one?
The InChIKey is PILWBQABZMEXDS-QNSVNVJESA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-16-26(24(29)20-8-4-3-5-9-20)14-15-27(17)23(28)18(2)30-21-12-6-10-19-11-7-13-25-22(19)21/h3-13,17-18H,14-16H2,1-2H3/t17-,18?/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one has a molecular weight of 403.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one is sourced from PubChem (CID 45487320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).