(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide

C26H22N2O4 — CID 25411874

IUPAC(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)Oc1cc(C)c3ccccc3n1)oc1ccccc12
InChIInChI=1S/C26H22N2O4/c1-15-12-25(27-20-10-6-4-8-17(15)20)31-16(2)26(29)28-21-14-23-19(13-24(21)30-3)18-9-5-7-11-22(18)32-23/h4-14,16H,1-3H3,(H,28,29)/t16-/m0/s1
InChIKeyIBXJLSSEIMQSOD-INIZCTEOSA-N
MW426.47 g/mol
LogP5.86
Rot. Bonds5

About (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide

(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide (PubChem CID 25411874) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide
PubChem CID25411874
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)Oc1cc(C)c3ccccc3n1)oc1ccccc12
InChIInChI=1S/C26H22N2O4/c1-15-12-25(27-20-10-6-4-8-17(15)20)31-16(2)26(29)28-21-14-23-19(13-24(21)30-3)18-9-5-7-11-22(18)32-23/h4-14,16H,1-3H3,(H,28,29)/t16-/m0/s1
InChIKeyIBXJLSSEIMQSOD-INIZCTEOSA-N
XLogP5.86
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 18291295
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7916291
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
2-(4-acetamidophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4805328
(2S)-2-(4-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7962389
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7668646
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-(2-methylphenyl)acetate
CID 7489192
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide
CID 3926182
2-(3-ethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 22831051
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide?
The IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide (CID 25411874) is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide?
The canonical SMILES for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide is COc1cc2c(cc1NC(=O)[C@H](C)Oc1cc(C)c3ccccc3n1)oc1ccccc12.
What is the InChIKey of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide?
The InChIKey is IBXJLSSEIMQSOD-INIZCTEOSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-15-12-25(27-20-10-6-4-8-17(15)20)31-16(2)26(29)28-21-14-23-19(13-24(21)30-3)18-9-5-7-11-22(18)32-23/h4-14,16H,1-3H3,(H,28,29)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide?
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide has a molecular weight of 426.47 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide is sourced from PubChem (CID 25411874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).