(2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide

C19H14Br2N2O4 — CID 40811471

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide
SMILESC[C@@H](Oc1c(Br)cc(Br)c2cccnc12)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H14Br2N2O4/c1-10(19(24)23-11-4-5-15-16(7-11)26-9-25-15)27-18-14(21)8-13(20)12-3-2-6-22-17(12)18/h2-8,10H,9H2,1H3,(H,23,24)/t10-/m1/s1
InChIKeyZNKJSGKYTLSCEU-SNVBAGLBSA-N
MW494.14 g/mol
LogP4.89
Rot. Bonds4

About (2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide (PubChem CID 40811471) has the molecular formula C19H14Br2N2O4 and a molecular weight of 494.14 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide
PubChem CID40811471
Molecular FormulaC19H14Br2N2O4
Molecular Weight494.14 g/mol
Exact Mass491.93
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide
SMILESC[C@@H](Oc1c(Br)cc(Br)c2cccnc12)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H14Br2N2O4/c1-10(19(24)23-11-4-5-15-16(7-11)26-9-25-15)27-18-14(21)8-13(20)12-3-2-6-22-17(12)18/h2-8,10H,9H2,1H3,(H,23,24)/t10-/m1/s1
InChIKeyZNKJSGKYTLSCEU-SNVBAGLBSA-N
XLogP4.89
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.14
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-bromophenoxy)propanamide
CID 7477288
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572567
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916064
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 7500220
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2-formylphenoxy)propanamide
CID 7762815
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)propanamide
CID 30384284
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2862496
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide
CID 45147837
N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
CID 53266903

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide (CID 40811471) is (2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide is C[C@@H](Oc1c(Br)cc(Br)c2cccnc12)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide?
The InChIKey is ZNKJSGKYTLSCEU-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H14Br2N2O4/c1-10(19(24)23-11-4-5-15-16(7-11)26-9-25-15)27-18-14(21)8-13(20)12-3-2-6-22-17(12)18/h2-8,10H,9H2,1H3,(H,23,24)/t10-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide has a molecular weight of 494.14 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide is sourced from PubChem (CID 40811471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).