(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

C24H20FN3O5 — CID 25116238

IUPAC(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
SMILESO=C(/C=C/c1ccnc2ccc(F)cc12)NC[C@@H]1CN(c2ccc3c(c2)OCCO3)C(=O)O1
InChIInChI=1S/C24H20FN3O5/c25-16-2-4-20-19(11-16)15(7-8-26-20)1-6-23(29)27-13-18-14-28(24(30)33-18)17-3-5-21-22(12-17)32-10-9-31-21/h1-8,11-12,18H,9-10,13-14H2,(H,27,29)/b6-1+/t18-/m1/s1
InChIKeyKRFFCEDENCPOKM-XOFWJLNASA-N
MW449.44 g/mol
LogP3.30
Rot. Bonds5

About (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

(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 (PubChem CID 25116238) has the molecular formula C24H20FN3O5 and a molecular weight of 449.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID25116238
Molecular FormulaC24H20FN3O5
Molecular Weight449.44 g/mol
Exact Mass449.14
IUPAC Name(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
SMILESO=C(/C=C/c1ccnc2ccc(F)cc12)NC[C@@H]1CN(c2ccc3c(c2)OCCO3)C(=O)O1
InChIInChI=1S/C24H20FN3O5/c25-16-2-4-20-19(11-16)15(7-8-26-20)1-6-23(29)27-13-18-14-28(24(30)33-18)17-3-5-21-22(12-17)32-10-9-31-21/h1-8,11-12,18H,9-10,13-14H2,(H,27,29)/b6-1+/t18-/m1/s1
InChIKeyKRFFCEDENCPOKM-XOFWJLNASA-N
XLogP3.30
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (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 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

N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide
CID 91422533
(E)-N-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51453771
(3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
CID 66736308
(2R)-2-amino-N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
CID 66737929
N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide
CID 66953973
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one
CID 25116714
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976
(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
3-(6-methoxy-1,5-naphthyridin-4-yl)-N-[[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
CID 66736403
(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
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 16921998
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one
CID 66736510

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(/C=C/c1ccnc2ccc(F)cc12)NC[C@@H]1CN(c2ccc3c(c2)OCCO3)C(=O)O1.
What is the InChIKey of (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?
The InChIKey is KRFFCEDENCPOKM-XOFWJLNASA-N. The full InChI is InChI=1S/C24H20FN3O5/c25-16-2-4-20-19(11-16)15(7-8-26-20)1-6-23(29)27-13-18-14-28(24(30)33-18)17-3-5-21-22(12-17)32-10-9-31-21/h1-8,11-12,18H,9-10,13-14H2,(H,27,29)/b6-1+/t18-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 449.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 25116238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).