1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone

C25H28N2O3 — CID 91155062

IUPAC1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone
SMILESCC(=O)C1CC(c2ccc(OCc3cc(C)nc4ccccc34)cc2)(C(C)C)ON1
InChIInChI=1S/C25H28N2O3/c1-16(2)25(14-24(18(4)28)27-30-25)20-9-11-21(12-10-20)29-15-19-13-17(3)26-23-8-6-5-7-22(19)23/h5-13,16,24,27H,14-15H2,1-4H3
InChIKeyOSQRYKFUMOCVMI-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.86
Rot. Bonds6

About 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone

1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone (PubChem CID 91155062) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone
PubChem CID91155062
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone
SMILESCC(=O)C1CC(c2ccc(OCc3cc(C)nc4ccccc34)cc2)(C(C)C)ON1
InChIInChI=1S/C25H28N2O3/c1-16(2)25(14-24(18(4)28)27-30-25)20-9-11-21(12-10-20)29-15-19-13-17(3)26-23-8-6-5-7-22(19)23/h5-13,16,24,27H,14-15H2,1-4H3
InChIKeyOSQRYKFUMOCVMI-UHFFFAOYSA-N
XLogP4.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone with MolForge

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Related Compounds

4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
[3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate
CID 69288385
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
[1,1-dihydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-propan-2-yl-1,4-thiazinan-2-yl] butanoate
CID 91254308
(2S,3R)-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxylic acid
CID 25138241
methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate
CID 66912603
[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate
CID 143099066
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-(oxan-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 90727856
2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid
CID 22032786
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone?
The IUPAC name of 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone (CID 91155062) is 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone?
The canonical SMILES for 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone is CC(=O)C1CC(c2ccc(OCc3cc(C)nc4ccccc34)cc2)(C(C)C)ON1.
What is the InChIKey of 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone?
The InChIKey is OSQRYKFUMOCVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-16(2)25(14-24(18(4)28)27-30-25)20-9-11-21(12-10-20)29-15-19-13-17(3)26-23-8-6-5-7-22(19)23/h5-13,16,24,27H,14-15H2,1-4H3.
What are the key properties of 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone?
1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone has a molecular weight of 404.51 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 91155062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).