(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

C25H26N4O4 — CID 25097432

IUPAC(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CN2CCN(c3ccnc4ccccc34)CC2)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H26N4O4/c30-25-29(18-5-6-23-24(15-18)32-14-13-31-23)17-19(33-25)16-27-9-11-28(12-10-27)22-7-8-26-21-4-2-1-3-20(21)22/h1-8,15,19H,9-14,16-17H2/t19-/m1/s1
InChIKeyPQPLSEZSHUKKBB-LJQANCHMSA-N
MW446.51 g/mol
LogP3.15
Rot. Bonds4

About (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 25097432) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID25097432
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CN2CCN(c3ccnc4ccccc34)CC2)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H26N4O4/c30-25-29(18-5-6-23-24(15-18)32-14-13-31-23)17-19(33-25)16-27-9-11-28(12-10-27)22-7-8-26-21-4-2-1-3-20(21)22/h1-8,15,19H,9-14,16-17H2/t19-/m1/s1
InChIKeyPQPLSEZSHUKKBB-LJQANCHMSA-N
XLogP3.15
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976
5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 66954527
(5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 66954392
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one
CID 66737251
(E)-N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-fluoroquinolin-4-yl)prop-2-enamide
CID 25116238
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 25097709
5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 66954338
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 25097429
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25097708
2-(4-quinolin-4-ylpiperazin-1-yl)ethanamine
CID 61340442
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one
CID 87130204
3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 10140659

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 25097432) is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1O[C@H](CN2CCN(c3ccnc4ccccc34)CC2)CN1c1ccc2c(c1)OCCO2.
What is the InChIKey of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is PQPLSEZSHUKKBB-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-25-29(18-5-6-23-24(15-18)32-14-13-31-23)17-19(33-25)16-27-9-11-28(12-10-27)22-7-8-26-21-4-2-1-3-20(21)22/h1-8,15,19H,9-14,16-17H2/t19-/m1/s1.
What are the key properties of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 446.51 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25097432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).